1-Benzyl-3-phenylurea

HCID 280363CAS 1467-21-6

기본 정보

표준 SMILES: O=C(NCc1ccccc1)Nc1ccccc1
InChIKey: XXFBRXQVPJVXFB-UHFFFAOYSA-N
분자식: C14H14N2O
평균 분자량: 226.27 g/mol
단동위원소 질량: 226.11061307

이름 및 식별자

우선 이름: 1-Benzyl-3-phenylurea
IUPAC: 1-benzyl-3-phenylurea
영어명: Urea,N-phenyl-N'-(phenylmethyl)-
분자식: C14H14N2O
분자량: 226.27

이름 및 동의어

1-benzyl-3-phenylureaRefChem:429891653-576-6N-benzyl-N'-phenylurea1467-21-6CHEMBL61606251-phenyl-3-benzylurea3-benzyl-1-phenylureaNSC1319571-benzyl-3-phenyl-ureaMaybridge4_002662N-benzyl-N'-phenyl urea

이름 더 보기

N-phenyl-N'-benzylureaN-Phenyl-N′-(phenylmethyl)ureaUrea,N-phenyl-N'-(phenylmethyl)-

N-phenyl-N'-benzyl-ureaN-Benzyl-N'-phenyl-ureaSCHEMBL1385743SCHEMBL2831462SCHEMBL4797277SCHEMBL4798336SCHEMBL5852223SCHEMBL7984182

데이터베이스 식별자

CAS: 1467-21-6
PubChem CID: 280363
DTXSID: DTXSID00299674
ChEMBL: CHEMBL6160625
EC Number: 653-576-6
Nikkaji: J961.377C

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 41.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 230

물리화학적 성질

녹는점: 169 · 169-171 °C
끓는 점: 366.5 · 366.5±25.0 °C(Predicted)
밀도: 1.178 · 1.178±0.06 g/cm3(Predicted)
산도 계수 (pKa): 12 · 12+-.0.46(Predicted)
InChI: InChI=1S/C14H14N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
InChIKey: XXFBRXQVPJVXFB-UHFFFAOYSA-N
SMILES: N(C1=CC=CC=C1)C(NCC1=CC=CC=C1)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.