1-((Tert-butoxy)carbonyl)-5-phenylpyrrolidine-2-carboxylic acid

HCID 4712505

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1822453-11-1
표준 SMILES: CC(C)(C)OC(=O)N1C(C(=O)O)CCC1c1ccccc1
InChIKey: ADTXMICUZGOWDF-UHFFFAOYSA-N
분자식: C16H21NO4
평균 분자량: 291.34 g/mol

이름 및 식별자

우선 이름: 1-((Tert-butoxy)carbonyl)-5-phenylpyrrolidine-2-carboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidine-2-carboxylic acid

이름 및 동의어

1-[(tert-butoxy)carbonyl]-5-phenylpyrrolidine-2-carboxylic acid1822453-11-11-((Tert-butoxy)carbonyl)-5-phenylpyrrolidine-2-carboxylic acidRefChem:419105846-913-5(5R)-1-(tert-butoxycarbonyl)-5-phenyl-D-proline(5S)-1-(tert-butoxycarbonyl)-5-phenyl-L-prolineSCHEMBL475745(2R,5R)-1-[(tert-butoxy)carbonyl]-5-phenylpyrrolidine-2-carboxylic acidFPD901011-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidine-2-carboxylic acidDB-012372

이름 더 보기

EN300-7186071-tert-butoxycarbonyl-5-phenyl-pyrrolidine-2-carboxylic acid

데이터베이스 식별자

CAS: 1822453-11-1
PubChem CID: 4712505
EC Number: 846-913-5

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 396

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)

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