1-벤질-4-(하이드록시메틸)피롤리딘-2-온

1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one

HCID 178824

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 96449-69-3
표준 SMILES: O=C1CC(CO)CN1Cc1ccccc1
InChIKey: KJNWTBGLUKBKME-UHFFFAOYSA-N
분자식: C12H15NO2
평균 분자량: 205.25 g/mol
단동위원소 질량: 205.11027872

이름 및 식별자

우선 이름: 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one
IUPAC: 1-benzyl-4-(hydroxymethyl)pyrrolidin-2-one
현지명: 1-벤질-4-(하이드록시메틸)피롤리딘-2-온
영어명: 1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one
분자식: C12H15NO2
분자량: 205.25

이름 및 동의어

1-benzyl-4-(hydroxymethyl)pyrrolidin-2-oneDTXSID50914502RefChem:429919DTXCID901343492870-013-196449-69-32-Pyrrolidinone, 4-(hydroxymethyl)-1-(phenylmethyl)-4-(Hydroxymethyl)-1-benzylpyrrolidin-2-oneWEB-1868MFCD100039851-Benzyl-4-(hydroxymethyl)-2-pyrrolidone1-benzyl-4-(hydroxymethyl)-2-pyrrolidinone

이름 더 보기

1-벤질-4-(하이드록시메틸)피롤리딘-2-온WEB1868NEBR-001OTAVA-BB 1084626WEB-1868, 10 mM in DMSO

Web 1868(+-)-1-Benzyl-4-hydroxymethylpyrrolidin-2-oneorb1705855SCHEMBL3240700KJNWTBGLUKBKME-UHFFFAOYSA-NWDA44969SBB054855AKOS013528574

데이터베이스 식별자

CAS: 96449-69-3
PubChem CID: 178824
DTXSID: DTXSID50914502
EC Number: 870-013-1
Nikkaji: J1.336.352H

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 224

물리화학적 성질

끓는 점: 411.3 · 411.3±28.0 °C(Predicted)
밀도: 1.185 · 1.185±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 14.56 · 14.56±0.10(Predicted)

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.