39945-51-2 (3-(羟甲基)哌啶-1-羧酸苄酯,Benzyl 3-(hydroxymethyl)piperidine-1-carboxylate)

快速询单

结构式：

3-(羟甲基)哌啶-1-羧酸苄酯MOL文件

CAS号：

39945-51-2

中文名称：

3-(羟甲基)哌啶-1-羧酸苄酯

英文名称：

Benzyl 3-(hydroxymethyl)piperidine-1-carboxylate

分子式：

C₁₄H₁₉NO₃

分子量：

249.305564165115

3-(羟甲基)哌啶-1-羧酸苄酯(39945-51-2)名称与标识符

名称

中文别名：

3-(羟甲基)哌啶-1-羧酸苄酯;1-Cbz-3-(羟甲基)哌啶;1-丁基-4-甲基溴吡啶;3-甲醇-N-苄氧羰基哌啶;N- Cbz-3-哌啶甲醇;N-CBZ-3-羟甲基哌啶;N-Cbz-3-哌啶甲醇;1-苄氧羰基-3-哌啶甲醇;N-CBZ-3-哌啶甲醇或1-CBZ-3-羟甲基哌啶;N-苄氧羰基-3-哌啶甲醇;

英文别名：

Benzyl 3-(hydroxymethyl)piperidine-1-carboxylate;1-Benzyloxycarbonyl-3-piperidinemethanol;N-Cbz-(3-hydroxymethyl)piperidine;Benzyl 3-(hydroxymethyl)tetrahydro-1(2H)-pyridinecarboxylate;N-CBZ-4-piperidinemethanol;1-Cbz-3-Hydroxymethylpiperidine;N-CBZ-3-PIPERIDINEMETHANOL;3-Hydroxymethyl-piperidine-1-carboxylic acid benzyl ester;1-Piperidinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester;N-Cbz-3-hydroxymethylpiperidine;PubChem11832;1-N-Cbz-3-piperidinemethanol;1-Cbz-3-hydroxymethyl-piperidine;XLWOOUZKMJBINO-UHFFFAOYSA-N;SY097307;(R)-(1-Cbz-3-piperidyl)methanol;CS-W012658;benzyl3-(hydroxymethyl)piperidine-1-carboxylate;MFCD17019494;1-(Benzyloxycarbonyl)piperidin-3-yl methanol;N-Carbobenzyloxy-3-piperidinemethanol;SY018381;SS-3395;EN300-73816;MFCD17168404;AC-22469;3-Hydroxymethylpiperidine-1-carboxylic acid benzyl ester;MFCD03407298;PB24322;FT-0622798;Z352747426;PB17305;AM20040384;1-benzyloxycarbonyl-3-piperidinyl methanol;1-benzyloxycarbonyl-3-hydroxymethyl-piperidine;AKOS009158455;39945-51-2;1-Cbz-3-(hydroxymethyl)piperidine;Benzyl 3-(hydroxymethyl)tetrahydro-1(2H)-pyridinecarboxylate, AldrichCPR;SCHEMBL1320424;1-benzyloxycarbonyl-3-hydroxymethylpiperidine;Q-103022;SB10263;SY321010;PB22877;benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate;DTXSID70380200;A6670;1-BENZYLOXYCARBONYL-3-(HYDROXYMETHYL)PIPERIDINE;BUTTPARK 75\50-54;3-(Hydroxymethyl)piperidine, N-CBZ protected;DB-255680;DB-031241;

标识符

MDL：

MFCD03407298

InChIKey：

XLWOOUZKMJBINO-UHFFFAOYSA-N

Inchi：

1S/C14H19NO3/c16-10-13-7-4-8-15(9-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2

SMILES：

OCC1CN(C(=O)OCC2C=CC=CC=2)CCC1

3-(羟甲基)哌啶-1-羧酸苄酯(39945-51-2)物化性质

实验特性

LogP : 1.96540
PSA : 49.77000
折射率 : 1.549
沸点 : 396.4℃ at 760 mmHg
熔点 : 59-60 °C
闪点 : 193.5℃
颜色与性状 : White to Yellow Solid
酸度系数(pKa) : 14.93±0.10(Predicted)
密度 : 1.162

计算特性

精确分子量 : 249.13600
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 4
同位素质量 : 249.136
重原子数量 : 18
复杂度 : 264
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 : 1
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） : 1.7
拓扑分子极性表面积 : 49.8

3-(羟甲基)哌啶-1-羧酸苄酯(39945-51-2)安全信息

安全术语： S24/25
安全说明： S26; S36/37/39
风险术语： R36/37/38
危害声明：H315,H319,H335
警示性声明：P261,P305+P351+P338,P302+P352,P321,P405,P501A
储存条件： Room temperature
危险类别码： 36/37/38-36
信号词： Danger

3-(羟甲基)哌啶-1-羧酸苄酯(39945-51-2)海关数据

海关编码：

2933399090

海关数据：

中国海关编码：

2933399090

概述：

2933399090. 其他结构含非稠合吡啶环的化合物. 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：

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(羟甲基)哌啶-1-羧酸苄酯(39945-51-2)推荐厂家更多厂家(29)

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南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单

3-(羟甲基)哌啶-1-羧酸苄酯(39945-51-2)上下游

N-Cbz-3-哌啶甲醛

3-(羟甲基)哌啶-1-羧酸苄酯(39945-51-2)参考资料

Beilstein：

MFCD03407298

PubChem CID：

2776577

3-(羟甲基)哌啶-1-羧酸苄酯(39945-51-2) MSDS

基础信息

Name:	Benzyl 3-(hydroxymethyl)tetrahydro-1(2h)-pyridinecarboxylate 97% Material Safety Data Sheet
Synonym:
CAS:	39945-51-2

Section 1 - Chemical Product ? MSDS Name:Benzyl 3-(hydroxymethyl)tetrahydro-1(2h)-pyridinecarboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
39945-51-2	Benzyl 3-(hydroxymethyl)tetrahydro-1(2	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
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 water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 39945-51-2: 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: Oil
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C14H19NO3
Molecular Weight: 249.31

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides, halogenated agents, halogens.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 39945-51-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzyl 3-(hydroxymethyl)tetrahydro-1(2H)-pyridinecarboxylate - 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# 39945-51-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 39945-51-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 39945-51-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A