6027-98-1 (盐酸骆驼蓬灵,Harmaline hydrochloride dihydrate)

CAS号:
6027-98-1
中文名称:
盐酸骆驼蓬灵
英文名称:
Harmaline hydrochloride dihydrate
分子式:
C13H17ClN2O2
分子量:
268.739282369614

盐酸骆驼蓬灵(6027-98-1)名称与标识符

名称

中文别名:
哈马灵盐酸盐二水合物;骆驼蓬碱;骆驼蓬灵 HCL DIHYDRATE(RG);骆驼蓬灵盐酸盐二水合物;盐酸骆驼蓬灵;
英文别名:
3H-Pyrido[3,4-b]indole,4,9-dihydro-7-methoxy-1-methyl-, hydrochloride, hydrate (1:1:2);HARMALINE HCL(RG);Harmaline hydrochloride;HARMALINE HYDROCHLORIDE DIHYDRATE;3,4-DIHYDRO-7-METHOXY-1-METHYL-9H-PYRIDO[3,4-B]-INDOLE HYDROCHLORIDE DIHYDRATE;4,9-dihydro-7-methoxy-1-methyl-3H-Pyrido[3,4-b]indole hydrochloride hydrate;HARMALINE HCL DIHYDRATE(RG);HARMALOL METHYL ETHER HYDROCHLORIDE DIHYDRATE;5B4DGH2M9R;7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;dihydrate;hydrochloride;7-Methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole hydrochloride dihydrate;7-methoxy-1-methyl-3,4-dihydrobeta-carboline, chloride, hydrate, hydrate;Prestwick_251;HARMALINEHYDROCHLORIDEDIHYDRATE;HARMALINE, HYDROCHLORIDE, DIHYDRATE;HMS1569J22;NCGC00017054-01;3H-PYRIDO(3,4-B)INDOLE, 4,9-DIHYDRO-7-METHOXY-1-METHYL-, HYDROCHLORIDE, HYDRATE (1:1:2);3H-PYRIDO(3,4-B)INDOLE, 4,9-DIHYDRO-7-METHOXY-1-METHYL-, MONOHYDROCHLORIDE, DIHYDRATE;1-Methyl-7-methoxy-3,4-dihydro-beta-carboline hydrochloride;UNII-5B4DGH2M9R;DB-053579;CHEMBL1494278;AC-35026;63885-08-5;6027-98-1;CCRIS 7891;CAS-6027-98-1;MFCD00150052;Q27261769;Harmaline hydrochloride dihydrate, >=95%;3H-Pyrido[3,4-b]indole, 4,9-dihydro-7-methoxy-1-methyl-, hydrochloride, hydrate (1:1:2);HARMALINE HYDROCHLORIDE DIHYDRATE [MI];

标识符

MDL:
MFCD00150052
InChIKey:
CTXXRFMWLCYUQN-UHFFFAOYSA-N
Inchi:
1S/C13H14N2O.ClH.H2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;;/h3-4,7,15H,5-6H2,1-2H3;1H;1H2
SMILES:
Cl.O(C)C1C=CC2=C(C=1)NC1C(C)=NCCC=12.O

盐酸骆驼蓬灵(6027-98-1)物化性质

实验特性

  • LogP : 2.65060
  • PSA : 55.84000
  • 沸点 : 426.4°C at 760 mmHg
  • 熔点 : 232-240 °C
  • 闪点 : 211.7°C
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定

计算特性

  • 精确分子量 : 286.10800
  • 氢键供体数量 : 4
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 1
  • 同位素质量 : 286.108
  • 重原子数量 : 19
  • 复杂度 : 302
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 4
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 5
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 39.4
  • 分子量 : 286.75

盐酸骆驼蓬灵(6027-98-1)安全信息

盐酸骆驼蓬灵(6027-98-1)国际标准相关数据

EINECS:
7891

盐酸骆驼蓬灵(6027-98-1)海关数据

海关编码:
2933990090
海关数据:

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

盐酸骆驼蓬灵(6027-98-1) MSDS

基础信息

Name:Harmaline hydrochloride dihydrate Material Safety Data Sheet
Synonym:None listed
CAS:6027-98-1
Section 1 - Chemical Product ? MSDS Name:Harmaline hydrochloride dihydrate Material Safety Data Sheet
Synonym:None listed

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
6027-98-1Harmaline hydrochloride dihydrate99unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Exposure to high concentrations may cause central nervous system depression.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use carbon dioxide, dry chemical powder or water spray.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6027-98-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Powder
Color: yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 239.00 - 240.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Moderately Soluble.
Specific Gravity/Density: Not available.
Molecular Formula: C13H14N2O.HCl.2H2O
Molecular Weight: 286.76

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 6027-98-1: MG8750000 LD50/LC50:
Not available.
Carcinogenicity:
Harmaline hydrochloride dihydrate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
? Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: II

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
WGK (Water Danger/Protection)
CAS# 6027-98-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6027-98-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6027-98-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A