1-페닐-2-옥소-3-피롤리딘카복실릭

2-Oxo-1-phenylpyrrolidine-3-carboxylic acid

HCID 3043762

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 56137-52-1
표준 SMILES: O=C(O)C1CCN(c2ccccc2)C1=O
InChIKey: KIXWRXJXMVUWCP-UHFFFAOYSA-N
분자식: C11H11NO3
평균 분자량: 205.21 g/mol
단동위원소 질량: 205.07389321

이름 및 식별자

우선 이름: 2-Oxo-1-phenylpyrrolidine-3-carboxylic acid
IUPAC: 2-oxo-1-phenylpyrrolidine-3-carboxylic acid
현지명: 1-페닐-2-옥소-3-피롤리딘카복실릭
영어명: 1-Phenyl-2-oxo-3-pyrrolidinecarboxylic
분자식: C11H11NO3
분자량: 205.21

이름 및 동의어

2-oxo-1-phenylpyrrolidine-3-carboxylic acid2-Oxo-1-phenyl-3-pyrrolidinecarboxylic acidBRN 01890063-Pyrrolidinecarboxylic acid, 2-oxo-1-phenyl-DTXSID609715055-22-06-00034 (Beilstein Handbook Reference)RefChem:477655DTXCID801399016624-100-456137-52-11-Phenyl-2-oxo-3-pyrrolidinecarboxylic acidMFCD01688147

이름 더 보기

1-페닐-2-옥소-3-피롤리딘카복실릭2-oxo-1-phenyl-3-pyrrolidinecarboxylicaci1-PHENYL-2-OXO-3-PYRROLIDINE CARBOLIC ACID1-Phenyl-2-oxo-3-pyrrolidinecarboxylic acid 95%JR-6448, 2-oxo-1-Phenylpyrrolidine-3-carboxylic acid, 97%

1-PHENYL-2-OXO-3-PYRROLIDINECARBOXYLICSCHEMBL308869AKOS000169771CS-02617912-oxo-1-phenyl-pyrrolidine-3-carboxylic acid1-Phenyl-2-oxo-3-pyrrolidinecarboxylic acid, 95%FT-06578773-Pyrrolidinecarboxylicacid, 2-oxo-1-phenyl-

데이터베이스 식별자

CAS: 56137-52-1
PubChem CID: 3043762
DTXSID: DTXSID60971505
EC Number: 624-100-4

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 271

물리화학적 성질

녹는점: 142 · 142-146 °C(lit.)
InChI: 1S/C11H11NO3/c13-10-9(11(14)15)6-7-12(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)
InChIKey: KIXWRXJXMVUWCP-UHFFFAOYSA-N
SMILES: OC(=O)C1CCN(C1=O)c2ccccc2

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 41 reports by companies from 4 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.