tert-butyl (2R)-pyrrolidine-2-carboxylate hydrochloride

HCID 44629909CAS 184719-80-0

기본 정보

표준 SMILES: CC(C)(C)OC(=O)[C@H]1CCCN1.Cl
InChIKey: IUUYANMOEMBTBV-OGFXRTJISA-N
분자식: C9H18ClNO2
평균 분자량: 207.7 g/mol
단동위원소 질량: 207.1026065

이름 및 식별자

우선 이름: tert-butyl (2R)-pyrrolidine-2-carboxylate hydrochloride
IUPAC: tert-butyl (2R)-pyrrolidine-2-carboxylate;hydrochloride
영어명: D-PROLINE TERT-BUTYL ESTER HYDROCHLORIDE
분자식: C9H18ClNO2
분자량: 207.7

이름 및 동의어

TERT-BUTYL (2R)-PYRROLIDINE-2-CARBOXYLATE HYDROCHLORIDERefChem:891652678-453-4184719-80-0(R)-tert-Butyl pyrrolidine-2-carboxylate hydrochlorideD-Proline tert-Butyl Ester HydrochlorideH-D-Pro-OtBu.HClMFCD00153460H-D-PRO-OTBU HCLh-d-pro-ptbu.hcltert-Butyl D-prolinate hydrochlorideD-proline t-butyl ester hydrochloride

이름 더 보기

D-Pro-Obut.HCLH-D-Pro-OtBu. HCl ForMD-Proline tert-butyl ester HClD-Prolinetert-ButylEsterHydrochloride>D-PROLINE TERT-BUTYL ESTER HYDROCHLORIDE USP/EP/BPD-Prolinetert-butyl ester hydrochloride≥ 98% (HPLC)ert-butyl(2R)-pyrrolidine-2-carboxylate,hydrochloride

D-Proline, 1,1-dimethylethyl ester, hydrochlorideSCHEMBL596114tert-butyl (2R)-pyrrolidine-2-carboxylate;hydrochloride(R)-tert-Butyl pyrrolidine-2-carboxylate HClAKOS015847182(R)-tert-Butylpyrrolidine-2-carboxylatehydrochlorideH-D-Pro-otbu hydrochlorideEN300-175765

데이터베이스 식별자

CAS: 184719-80-0
PubChem CID: 44629909
DTXSID: DTXSID00659799
EC Number: 678-453-4

물성

구조 계산 물성

극성 표면적: 38.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 94 °C · 94 °C
굴절률: 31 ° · 31 ° (C=1, H2O)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
수용성: 물에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.