1-Boc-3-pyrrolidinol

HCID 4416939

노트 반응

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기본 정보

CAS: 103057-44-9
표준 SMILES: CC(C)(C)OC(=O)N1CCC(O)C1
InChIKey: APCBTRDHCDOPNY-UHFFFAOYSA-N
분자식: C9H17NO3
평균 분자량: 187.24 g/mol
단동위원소 질량: 187.1208434

개요

See also: tert-Butyl (3S)-3-hydroxypyrrolidine-1-carboxylate (annotation moved to).

이름 및 식별자

우선 이름: 1-Boc-3-pyrrolidinol
IUPAC: tert-butyl 3-hydroxypyrrolidine-1-carboxylate
영어명: (9H-fluoren-9-yl)methyl 3-hydroxypyrrolidine-1-carboxylate
분자식: C19H19NO3
분자량: 309.35906

이름 및 동의어

tert-Butyl 3-hydroxypyrrolidine-1-carboxylate1-Boc-3-pyrrolidinol3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl esterRefChem:430086600-388-7625-891-9948551-28-8103057-44-91-Boc-3-hydroxypyrrolidineN-Boc-3-hydroxypyrrolidine1-(tert-Butoxycarbonyl)-3-pyrrolidinol1-Pyrrolidinecarboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester

이름 더 보기

(9H-fluoren-9-yl)methyl 3-hydroxypyrrolidine-1-carboxylate(9H-Fluoren-9-yl)methyl 3-hydroxypyrrolidine-1-carboxylate - [F90333]

83220-73-91-BOC-(R)-(-)-3-HYDROXYPYRROLIDINEMFCD040385353-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl esterN-Boc-3-pyrrolidinol1-tert-Butoxycarbonyl-3-hydroxypyrrolidine1,1-dimethylethyl 3-hydroxypyrrolidine-1-carboxylatetert-butyl 3-hydroxypyrrolidinecarboxylate

데이터베이스 식별자

CAS: 103057-44-9、948551-28-8
PubChem CID: 4416939
DTXSID: DTXSID90403046
EC Number: 600-388-7、625-891-9
Nikkaji: J1.320.987A

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 198

물리화학적 성질

저장 조건: 2 · Storage temp. 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]