CAS 188527-21-1 1-N-Cbz-pyrrolidine-3-carboxylic acid (HCID 18538483)

기본 정보

CAS: 188527-21-1
표준 SMILES: O=C(O)C1CCN(C(=O)OCc2ccccc2)C1
InChIKey: JSASVUTVTRNJHA-UHFFFAOYSA-N
분자식: C13H15NO4
평균 분자량: 249.26 g/mol
단동위원소 질량: 249.10010796

이름 및 식별자

우선 이름: 1-N-Cbz-pyrrolidine-3-carboxylic acid
IUPAC: 1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
현지명: 1-N-CBZ-피롤리딘-3-카르복실산
영어명: 1-N-Cbz-belta-Proline
분자식: C13H15NO4
분자량: 249.26

이름 및 동의어

1-N-Cbz-pyrrolidine-3-carboxylic acidRefChem:434714675-937-7188527-21-11-((benzyloxy)carbonyl)pyrrolidine-3-carboxylic acid1-(benzyloxycarbonyl)pyrrolidine-3-carboxylic acidn-cbz-pyrrolidine-3-carboxylic acid1-[(benzyloxy)carbonyl]pyrrolidine-3-carboxylic acid1-Cbz-pyrrolidine-3-carboxylic acidMFCD021790361-benzyloxycarbonylpyrrolidine-3-carboxylic acidpyrrolidine-1,3-dicarboxylic acid 1-benzyl ester

이름 더 보기

1-N-CBZ-피롤리딘-3-카르복실산C671541-N-CBZ-BELTA-PROLINE1-Cbz-pyrrolidine-3-carbo...1-(Benzyloxycarbonyl)pyrrolidiN-Cbz-3-pyrrolidinecarboxylicacid

1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid1-n-cbz-beta-proline3-carboxy-1-cbz-pyrrolidine3-carboxy-1-phenylmethyloxycarbonylpyrrolidine1-Cbz-3-pyrrolidinecarboxylic acidn-cbz-3-carboxy pyrrolidineSCHEMBL103560DTXSID30940349

데이터베이스 식별자

CAS: 188527-21-1
PubChem CID: 18538483
DTXSID: DTXSID30940349
EC Number: 675-937-7
Nikkaji: J1.580.381I

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 312

물리화학적 성질

끓는 점: 432.3 · 432.3±45.0 °C(Predicted)
밀도: 1.309 · 1.309±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 4.46 · 4.46±0.20(Predicted)
물리적 상태: 고체

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.