5-벤질-2,4-이미다졸린디온

5-(Phenylmethyl)-2,4-imidazolidinedione

HCID 73565CAS 3530-82-3

기본 정보

표준 SMILES: O=C1NC(=O)C(Cc2ccccc2)N1
InChIKey: DBOMTIHROGSFTI-UHFFFAOYSA-N
분자식: C10H10N2O2
평균 분자량: 190.2 g/mol

개요

5-benzylhydantoin is an imidazolidine-2,4-dione that is hydantoin substituted by a benzyl group at position 5. It is a member of benzenes and an imidazolidine-2,4-dione.

이름 및 식별자

우선 이름: 5-(Phenylmethyl)-2,4-imidazolidinedione
IUPAC: 5-benzylimidazolidine-2,4-dione
현지명: 5-벤질-2,4-이미다졸린디온
영어명: 5-Benzyl-2,4-imidazolinedione
분자식: C10H10N2O2
분자량: 190.2

이름 및 동의어

5-Benzylhydantoin3530-82-35-(Phenylmethyl)-2,4-imidazolidinedioneRefChem:9132225-benzylimidazolidine-2,4-dione5-BENZYL HYDANTOIN2,4-Imidazolidinedione, 5-(phenylmethyl)-MFCD00016634dl-5-benzylhydantoin5-benzyl-2,4-imidazolidinedioneNSC 30459CHEMBL1914996

이름 더 보기

5-벤질-2,4-이미다졸린디온NSC 50842Hydantoin 5-BenzylBenzylidenhydantoinDL-5-BENZYL-HYDANTOINHydantoin Impurity 105-(phenylmethyl)imidazolidine-2,4-dione

NSC-30459NSC-50842D-5-benzylhydantoin5-Benzyl-2,4-imidazolinedione5-Benzylimidazolidin-2,4-dione5-benzyl-hydantoin5-benzyl-hydantoine2,4-Imidazolidinedione,5-(phenylmethyl)-

데이터베이스 식별자

CAS: 3530-82-3
PubChem CID: 73565
DTXSID: DTXSID40874065
ChEMBL: CHEMBL1914996
ChEBI: CHEBI:233551
UNII: MG67DQ24RF
EC Number: 222-563-3
Nikkaji: J26.393A

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 58.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 247

실험 및 물리화학적 성질

LogP0.6

물리화학적 성질

녹는점: 188 · 188-189
밀도: 1.25 · 1.250±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer
용해도: 메탄올(약간)에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 8.88 · 8.88±0.10(Predicted)
색상: 하얀색
InChI: 1S/C10H10N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)
InChIKey: DBOMTIHROGSFTI-UHFFFAOYSA-N
SMILES: O=C1NC(Cc2ccccc2)C(=O)N1

화학적 성질

Crystalline Solid

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.