CAS 5497-76-7 tert-Butyl L-prolinate hydrochloride (HCID 6453107)

기본 정보

CAS: 5497-76-7
표준 SMILES: CC(C)(C)OC(=O)[C@@H]1CCCN1.Cl
InChIKey: IUUYANMOEMBTBV-FJXQXJEOSA-N
분자식: C9H18ClNO2
평균 분자량: 207.7 g/mol
단동위원소 질량: 207.1026065

이름 및 식별자

우선 이름: tert-Butyl L-prolinate hydrochloride
IUPAC: tert-butyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
영어명: tert-Butyl L-prolinate hydrochloride
분자식: C9H18ClNO2
분자량: 207.7

이름 및 동의어

5497-76-7tert-Butyl L-prolinate hydrochloridetert-Butyl L-prolinate HClEINECS 226-835-2DTXSID90203503RefChem:894672DTXCID50125994L-Proline, 1,1-dimethylethyl ester, hydrochloride (1:1)226-835-2H-Pro-OtBu.HClL-Proline tert-Butyl Ester HydrochlorideH-PRO-OTBU HCL

이름 더 보기

Pro-OtBu.HClH-PRO-OBUT HCLL-Pro-OtBu·HClH-L-Pro-OtBu*HCltert-Butyl L-prolinaL-Proline t-Butyl Ester HCltert-Butyl L-prolite hydrochloride

Pro-OtBu HClL-Proline tert-butyl ester HClH-Pro-OtBu hydrochloridetert-butyl (2S)-pyrrolidine-2-carboxylate hydrochlorideL-proline t-butyl ester hydrochlorideMFCD00153459tert-butyl (2S)-pyrrolidine-2-carboxylate;hydrochlorideAKOS015844368

데이터베이스 식별자

CAS: 5497-76-7
PubChem CID: 6453107
DTXSID: DTXSID90203503
EC Number: 226-835-2

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: 110 · 110-112°C
저장 조건: 2 · Inert atmosphere,2-8°C
수용성: 물에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 3596764 · 3596764

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H315 (80%): 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.