(3R,4R)-3-Amino-1-Boc-4-hydroxypyrrolidine

HCID 11275699

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 148214-90-8
표준 SMILES: CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)C1
InChIKey: MOZOQDNRVPHFOO-RNFRBKRXSA-N
분자식: C9H18N2O3
평균 분자량: 202.25 g/mol

이름 및 식별자

우선 이름: (3R,4R)-3-Amino-1-Boc-4-hydroxypyrrolidine
IUPAC: tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate
영어명: 1-Pyrrolidinecarboxylicacid,3-amino-4-hydroxy-,1,1-dimethylethylester,(3R,4R)-(9CI)
분자식: C9H18N2O3
분자량: 202.25

이름 및 동의어

330681-18-0(3R,4R)-3-Amino-1-Boc-4-hydroxypyrrolidinerac-tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylateRefChem:401039674-576-2828-720-8148214-90-8(3R,4R)-TERT-BUTYL 3-AMINO-4-HYDROXYPYRROLIDINE-1-CARBOXYLATEtrans-3-Amino-1-Boc-4-hydroxypyrrolidinetert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate(3R,4R)-rel-tert-Butyl 3-amino-4-hydroxypyrrolidine-1-carboxylateMFCD11111251

이름 더 보기

(3R,4R)-4-aMino-1-N-Boc-3-hydroxypyrrolidineTrans-(3R,4R)-1-Boc-3-aMino-4-hydroxypyrrolidine1-Pyrrolidinecarboxylicacid,3-amino-4-hydroxy-,1,1-dimethylethylester,(3R,4R)-(9CI)1-Pyrrolidinecarboxylic acid, 3-amino-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)-1-Pyrrolidinecarboxylicacid,3-amino-4-hydroxy-,1,1-dimethylethylester,(3R,4R)-(9CI) USP/EP/BP

(3R,4R)-1-Boc-3-amino-4-hydroxypyrrolidine1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-HYDROXY-, 1,1-DIMETHYLETHYL ESTER, (3R,4R)-REL-tert-Butyl trans-3-amino-4-hydroxypyrrolidine-1-carboxylatetrans-1-Boc-4-aminopyrrolidin-3-ol(3R,4R)-tert-butyl3-amino-4-hydroxypyrrolidine-1-carboxylateMFCD06858457rel-tert-Butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylateSY023859

데이터베이스 식별자

CAS: 148214-90-8、330681-18-0
PubChem CID: 11275699
ChEMBL: CHEMBL4542210
EC Number: 674-576-2、828-720-8
Nikkaji: J970.514G

물성

구조 계산 물성

XLogP: -0.6
극성 표면적: 75.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 225

물리화학적 성질

끓는 점: 308.8 · 308.8±42.0 °C(Predicted)
밀도: 1.179 · 1.179
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 14.36 · 14.36±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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