(3R,4S)-4-Amino-1-boc-3-methoxypiperidine

HCID 57362389

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1171124-68-7
표준 SMILES: CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N
InChIKey: QNGHCFVWYKWWMU-DTWKUNHWSA-N
분자식: C11H22N2O3
평균 분자량: 230.3 g/mol

이름 및 식별자

우선 이름: (3R,4S)-4-Amino-1-boc-3-methoxypiperidine
IUPAC: tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate
영어명: 1-Piperidinecarboxylic acid, 4-amino-3-methoxy-, 1,1-dimethylethyl ester, (3R,4S)-
분자식: C11H22N2O3
분자량: 230.3

이름 및 동의어

1363378-22-6(3R,4S)-4-AMINO-1-BOC-3-METHOXYPIPERIDINEtert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate(3R,4S)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate1171124-68-7MFCD22415234Cis-4-Amino-1-Boc-3-methoxypiperidine(3R,4S)-tert-Butyl4-amino-3-methoxypiperidine-1-carboxylateSCHEMBL17181323YQF34081-Piperidinecarboxylic acid, 4-amino-3-methoxy-, 1,1-dimethylethyl ester, (3R,4S)-rel-QNGHCFVWYKWWMU-DTWKUNHWSA-N

이름 더 보기

(3R,4S)-4-AMino-1-Boc-3-M...tert-butyl(3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate-B190491-Piperidinecarboxylic acid, 4-amino-3-methoxy-, 1,1-dimethylethyl ester, (3R,4S)-

AKOS025290233AS-34612CS-0048556F467998tert-butyl (3R,4S)-4-amino-3-methoxy-piperidine-1-carboxylatetert-butyl cis(+/-)-4-amino-3-methoxypiperidine-1-carboxylate(3R,4S)-4-Amino-3-methoxypiperidine-1-carboxylic acid tert-butyl ester(rac)-cis-4-amino-3-methoxy-piperidine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

CAS: 1171124-68-7、1363378-22-6
PubChem CID: 57362389
EC Number: 851-910-7

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 64.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 250

물리화학적 성질

저장 조건: 0 · Store at 0-8 °C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.