4-브로모메틸-피페리딘-1-카르복실산tert-부틸에스테르

tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate

HCID 15512811

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 158407-04-6
표준 SMILES: CC(C)(C)OC(=O)N1CCC(CBr)CC1
InChIKey: YGJXBTRLYHCWGD-UHFFFAOYSA-N
분자식: C11H20BrNO2
평균 분자량: 278.19 g/mol
단동위원소 질량: 277.06774098

이름 및 식별자

우선 이름: tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(bromomethyl)piperidine-1-carboxylate
현지명: 4-브로모메틸-피페리딘-1-카르복실산tert-부틸에스테르
영어명: 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester
분자식: C11H20BrNO2
분자량: 278.19

이름 및 동의어

158407-04-6tert-Butyl 4-(bromomethyl)piperidine-1-carboxylateDTXSID40573521RefChem:383538DTXCID20524293808-755-51-Boc-4-bromomethylpiperidine4-Bromomethyl-piperidine-1-carboxylic acid tert-butyl esterN-Boc-4-Bromomethyl-piperidineMFCD041155381-PIPERIDINECARBOXYLIC ACID, 4-(BROMOMETHYL)-, 1,1-DIMETHYLETHYL ESTERtert-butyl4-(bromomethyl)piperidine-1-carboxylate

이름 더 보기

4-브로모메틸-피페리딘-1-카르복실산tert-부틸에스테르CAS:158407-04-61-Boc-4-BromomethyL1-Boc-4-broMoMethylpiperi...1-Boc-4-(bromoMmethyl)piperidine4-Bromomethyl-1-(tert-butoxycarbonyl)piperidine

AS-181311-Boc-4-(bromomethyl)piperidine1-N-BOC-4-BROMOMETHYLPIPERIDINESCHEMBL8206N-Boc 4-bromomethyl piperidineorb3175530N-Boc-4-(bromomethyl)piperidine4-Bromomethylpiperidine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

CAS: 158407-04-6
PubChem CID: 15512811
DTXSID: DTXSID40573521
EC Number: 808-755-5

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 217

물리화학적 성질

끓는 점: 318.3 · 318.3±15.0 °C(Predicted)
밀도: 1.27 · 1.270±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): -1.91 · -1.91±0.40(Predicted)
InChI: InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3
InChIKey: YGJXBTRLYHCWGD-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(CBr)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.