CAS 114676-59-4 Methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride (HCID 12764090)

기본 정보

CAS: 114676-59-4
표준 SMILES: COC(=O)[C@H]1C[C@@H](O)CN1.Cl
InChIKey: KLGSHNXEUZOKHH-TYSVMGFPSA-N
분자식: C6H12ClNO3
평균 분자량: 181.62 g/mol

이름 및 식별자

우선 이름: Methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride
IUPAC: methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
현지명: D-프롤린,4-하이드록시-,메틸에스테르,염산염(1:1),(4R)-
영어명: D-Proline, 4-hydroxy-, methyl ester, hydrochloride (1:1), (4R)-
분자식: C6H11NO3.ClH
분자량: 181.618

이름 및 동의어

Methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochlorideD-Proline, 4-hydroxy-, methyl ester, hydrochloride (1:1), (4R)-RefChem:812087691-825-0114676-59-4(2R,4R)-METHYL 4-HYDROXYPYRROLIDINE-2-CARBOXYLATE HYDROCHLORIDEMFCD00082536methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochlorideD-Proline, 4-hydroxy-, methyl ester (hydrochloride)(2R,4R)-4-hydroxy-2-methoxycarbonylpyrrolidine hydrochloride(2R,4R)-4-Hydroxy-pyrrolidine-2-carboxylic acid methyl ester hydrochloride(2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid methyl ester hydrochloride

이름 더 보기

D-프롤린,4-하이드록시-,메틸에스테르,염산염(1:1),(4R)-Cis-D-Hyp-OMe.HCCis-D-Hyp-OMe.HClD-Proline, 4-HydroxyCis-4-Hydroxy-D-proline Methyl ester HCl(4R)-4-Hydroxy-D-proline methyl ester HClMethyl cis-4-Hydroxy-D-proline HydrochlorideMethyl 4-hydroxypyrrolidine-2-carboxylate HClCis-4-hydroxy-proline Methyl ester hydrochloride -D-

4-(R)-Hydroxypyrrolidine-2-(R)-carboxylic acid methyl ester hydrochloridecis-4-Hydroxy-D-proline methyl ester hydrochloride(2R,4R)-Methyl 4-hydroxypyrrolidine-2-carboxylate HClKLGSHNXEUZOKHH-TYSVMGFPSA-ND-Proline, 4-hydroxy-, methyl ester, hydrochloride, (4R)-SCHEMBL475806CS-M0680AKOS000278312

데이터베이스 식별자

CAS: 114676-59-4
PubChem CID: 12764090
EC Number: 691-825-0

물성

구조 계산 물성

극성 표면적: 58.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 137

물리화학적 성질

녹는점: 121 · 121-123℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.