1-Boc-4-시아노피페리딘

Tert-butyl 4-cyanopiperidine-1-carboxylate

HCID 1514443CAS 91419-52-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)(C)OC(=O)N1CCC(C#N)CC1
InChIKey
UQADQTBQNVARAP-UHFFFAOYSA-N
분자식
C11H18N2O2
평균 분자량
210.27 g/mol
단동위원소 질량
210.13682782

이름 및 식별자

우선 이름
Tert-butyl 4-cyanopiperidine-1-carboxylate
IUPAC
tert-butyl 4-cyanopiperidine-1-carboxylate
현지명
1-Boc-4-시아노피페리딘
영어명
1-Boc-4-cyanopiperidine
분자식
C11H18N2O2
분자량
210.27

이름 및 동의어

tert-butyl 4-cyanopiperidine-1-carboxylateRefChem:894012624-826-11-Boc-4-cyanopiperidine91419-52-2n-boc-4-cyanopiperidine1-N-Boc-4-cyanopiperidine1-n-boc-4-cyano-piperidineMFCD01861223N-Boc-4-cyano-piperidinen-boc-piperidine-4-carbonitrile1-PIPERIDINECARBOXYLIC ACID, 4-CYANO-, 1,1-DIMETHYLETHYL ESTER
이름 더 보기
1-Boc-4-시아노피페리딘1-Boc-4-cyanopiperidBoc-4-cyanopiperidineN-Boc-4-cyanopyridineN-boc-4-cyanopiperidie1-Boc-4-cynopiperidineN-Boc 4-cyano piperdine
1-tert-butoxycarbonyl-4-cyanopiperidine1,1-DIMETHYLETHYL 4-CYANO-1-PIPERIDINECARBOXYLATE4-CYANO-1-PIPERIDINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER4-cyano-piperidine-1-carboxylic acid tert-butyl ester4-CYANOPIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERtert-butyl 4-cyano-1-piperidinecarboxylateZX6CEW6MVBN-Boc 4-cyanopiperidine

데이터베이스 식별자

CAS
91419-52-2
PubChem CID
1514443
DTXSID
DTXSID10363890
UNII
ZX6CEW6MVB
EC Number
624-826-1
Nikkaji
J2.766.911E

물성

구조 계산 물성

XLogP
1.3
극성 표면적
53.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
15

물리화학적 성질

녹는점
60 · 60-63 °C
끓는 점
325.3 · 325.3±35.0 °C(Predicted)
밀도
1.07 · 1.07±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
클로로포름에 용해됨
산도 계수 (pKa)
-3.08 · -3.08±0.40(Predicted)

화학적 성질

1-Boc-4-cyanopiperidine is a yellowish oil,it is flammable, it reacts with oxidizing agents.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 3.8% (2 of 53) of reports.

Warning

H302 (92.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationREACH registered substance: tert-butyl 4-cyanopiperidine-1-carboxylate (EC: 624-826-1)
Hazard Classes and CategoriesAcute Tox. 4 (92.5%)

안전 데이터

wgk
3
ridadr
3439
HS 번호
29333990
risk_code
20/21/22-50-36-22
hazard_code
Xn,N
safety_code
36-36/37/39-61-26

화학 및 산업

응용 분야 · 1건

용도Reactant for synthesis of:Aminomethylated fluoropiperidinesProtein kinase B inhibitorsGlyT1 inhibitorsPiperidinecarboxylic acids via nitrilase-catalyzed enantioselective synthesisReactant forReplacement in CB2 receptor inhibitorsDouble addition reactions of methyllithium and n-butyllithium to unsaturated nitriles

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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