157887-82-6 (3-(Fmoc-氨基)-1-丙醇,Fmoc-b-alaninol)

CAS号:
157887-82-6
中文名称:
3-(Fmoc-氨基)-1-丙醇
英文名称:
Fmoc-b-alaninol
分子式:
C18H19NO3
分子量:
297.348365068436

3-(Fmoc-氨基)-1-丙醇(157887-82-6)名称与标识符

名称

中文别名:
3-[(9H-芴-9-基甲氧基)羰基氨基]-1-丙醇;3-(Fmoc-氨基)-1-丙醇;(四氢-2H-吡喃-4-基)甲醇;1-氨基-2-甲基-2-丙醇;FMOC-3-氨基-1-丙醇;9-芴甲基 N-(3-羟丙基)氨基甲酸酯;
英文别名:
Fmoc-beta-alaninol;3-[(9H-Fluoren-9-ylmethoxy)carbonylamino]-1-propanol;3-(Fmoc-amino)-1-propanol;Carbamic acid,N-(3-hydroxypropyl)-, 9H-fluoren-9-ylmethyl ester;FMOC-3-AMINO-1-PROPANOL;9H-fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate;Fmoc-b-Ala-ol;FMOC-BETA-ALA-OL;FMOC-NH-(CH2)3-OH;FMOC-3-AMINOPROPANOL;N-FMOC-3-AMINOPROPANOL;4-(FMOC-AMINO)-1-PROPANOL;Fmoc-β-alaninol≥ 99% (HPLC);

标识符

MDL:
MFCD00409484
InChIKey:
GNXZNUJDAMSJFZ-UHFFFAOYSA-N
Inchi:
1S/C18H19NO3/c20-11-5-10-19-18(21)22-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17,20H,5,10-12H2,(H,19,21)
SMILES:
O(C(NCCCO)=O)CC1C2C=CC=CC=2C2C=CC=CC1=2

3-(Fmoc-氨基)-1-丙醇(157887-82-6)物化性质

实验特性

  • LogP : 3.29840
  • PSA : 58.56000
  • 熔点 : 125.0 to 130.0 deg-C
  • 颜色与性状 : 固体
  • 溶解性 : 未确定
  • 敏感性 : 对湿度敏感

计算特性

  • 精确分子量 : 297.13600
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 7
  • 重原子数量 : 22
  • 复杂度 : 351
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 2.7
  • 互变异构体数量 : 2
  • 表面电荷 : 0

3-(Fmoc-氨基)-1-丙醇(157887-82-6)安全信息

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3-(Fmoc-氨基)-1-丙醇(157887-82-6)相关文献

3-(Fmoc-氨基)-1-丙醇(157887-82-6)参考资料

Reaxys RN:
6814792
Beilstein:
6814792
PubChem CID:

3-(Fmoc-氨基)-1-丙醇(157887-82-6) MSDS

基础信息

Name:9H-fluoren-9-ylmethyl n-(3-hydroxypropyl)carbamate 97% Material Safety Data Sheet
Synonym:
CAS:157887-82-6
Section 1 - Chemical Product ? MSDS Name:9H-fluoren-9-ylmethyl n-(3-hydroxypropyl)carbamate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
157887-82-69H-Fluoren-9-ylmethyl N-(3-hydroxyprop97%unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Moisture sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: 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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area. Store under nitrogen. Store under argon.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 157887-82-6: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 124 - 126 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C18H19NO3
Molecular Weight: 297

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, acid chlorides, reducing agents, bases, amines.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 157887-82-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
9H-Fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

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

Section 14 - TRANSPORT INFORMATION
?
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 157887-82-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 157887-82-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 157887-82-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A