CAS 96522-37-1 (2S,4R)-1-[(benzyloxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid (HCID 12849521)

기본 정보

CAS: 96522-37-1
표준 SMILES: CO[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1
InChIKey: SRQAKAAEVLROCY-NEPJUHHUSA-N
분자식: C14H17NO5
평균 분자량: 279.29 g/mol
단동위원소 질량: 279.11067264

이름 및 식별자

우선 이름: (2S,4R)-1-[(benzyloxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
IUPAC: (2S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

이름 및 동의어

96522-37-1(2S,4R)-1-[(BENZYLOXY)CARBONYL]-4-METHOXYPYRROLIDINE-2-CARBOXYLIC ACID(2S,4R)-1-((benzyloxy)carbonyl)-4-methoxypyrrolidine-2-carboxylic acidRefChem:398916990-505-0(2S,4R)-1-benzyloxycarbonyl-4-methoxyproline(2S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid(4R)-1-CBZ-4-METHOXY-L-PROLINESCHEMBL1150967SRQAKAAEVLROCY-NEPJUHHUSA-NAT43906EN300-217066

이름 더 보기

EN300-313262(2S,4R)-1-[(benzyloxy) carbonyl]-4-methoxy-2-pyrrolidinecarboxylic acid(2S,4R)-1-[(benzyloxy)carbonyl]-4-methoxy-2-pyrrolidinecarboxylic acidrac-(2R,4S)-1-[(benzyloxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid(2S,4R)-1-[(BENZYLOXY)CARBONYL]-4-METHOXYPYRROLIDINE-2-CARBOXYLICACID

데이터베이스 식별자

CAS: 96522-37-1
PubChem CID: 12849521
EC Number: 990-505-0
Nikkaji: J3.383.519A

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 76.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 353

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)

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