1-(2-프로필)-2-벤즈이미다졸리디논

1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one

HCID 1653580CAS 35681-40-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)n1c(=O)[nH]c2ccccc21
InChIKey: IKWYGATUQXCBFU-UHFFFAOYSA-N
분자식: C10H12N2O
평균 분자량: 176.21 g/mol
단동위원소 질량: 176.09496301

이름 및 식별자

우선 이름: 1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
IUPAC: 3-propan-2-yl-1H-benzimidazol-2-one
현지명: 1-(2-프로필)-2-벤즈이미다졸리디논
영어명: 1-(2-PROPYL)-2-BENZIMIDAZOLIDINONE
분자식: C10H12N2O
분자량: 176.22

이름 및 동의어

35681-40-4DTXSID803647131-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-oneRefChem:227020DTXCID903157561-Isopropyl-3H-1,3-benzodiazol-2-one1-Isopropyl-1H-benzo[d]imidazol-2(3H)-one1-Isopropyl-1,3-dihydro-2H-benzimidazol-2-one3-propan-2-yl-1H-benzimidazol-2-one2H-Benzimidazol-2-one, 1,3-dihydro-1-(1-methylethyl)-MFCD010676391-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

이름 더 보기

1-(2-프로필)-2-벤즈이미다졸리디논1-Isopropyl-2-benzimidazolinone1-(2-PROPYL)-2-BENZIMIDAZOLIDINONE1-isopropyl-1H-benzol(d)imidazol-2(3H)-one1-Isopropyl-2-oxo-2,3-dihydrobenzimidazole1,3-dihydro-1-(1-methylethyl)-2H-Benzimidazol-2-one2H-BenziMidazol-2-one,1,3-dihydro-1-(1-Methylethyl)-2H-Benzimidazol-2-one,1,3-dihydro-1-(1-methylethyl)-(9CI)

1-(methylethyl)-3-hydrobenzimidazol-2-oneMLS0000979411-isopropylbenzimidazoloneSCHEMBL828232SCHEMBL4813307SCHEMBL7265634CHEMBL1359168SCHEMBL13031107

데이터베이스 식별자

CAS: 35681-40-4
PubChem CID: 1653580
DTXSID: DTXSID80364713
ChEMBL: CHEMBL1359168
EC Number: 176-784-4
Nikkaji: J1.526.295H

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 215

물리화학적 성질

녹는점: 129 ℃ · 129℃
밀도: 1.142 · 1.142±0.06 g/cm3(Predicted)
산도 계수 (pKa): 12.18 · 12.18±0.30(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.