2-((3-OXOCYCLOHEX-1-ENYL)아미노)벤젠카보니트릴

Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)-

HCID 184360

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 104675-23-2
표준 SMILES: N#Cc1ccccc1NC1=CC(=O)CCC1
InChIKey: HCMIHVZZMOSHIE-UHFFFAOYSA-N
분자식: C13H12N2O
평균 분자량: 212.25 g/mol
단동위원소 질량: 212.094963

개요

2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile is a nitrile and a member of benzenes.

이름 및 식별자

우선 이름: Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)-
IUPAC: 2-[(3-oxocyclohexen-1-yl)amino]benzonitrile
현지명: 2-((3-OXOCYCLOHEX-1-ENYL)아미노)벤젠카보니트릴
영어명: 2-((3-Oxocyclohex-1-enyl)amino)benzenecarbonitrile
분자식: C13H12N2O
분자량: 212.25

이름 및 동의어

104675-23-2Benzonitrile, 2-((3-oxo-1-cyclohexen-1-yl)amino)-Benzonitrile, 2-[(3-oxo-1-cyclohexen-1-yl)amino]-DTXSID50146644RefChem:327984DTXCID40691352-[(3-oxocyclohex-1-en-1-yl)amino]benzonitrile2-[(3-oxocyclohexen-1-yl)amino]benzonitrile2-((3-Oxocyclohex-1-en-1-yl)amino)benzonitrileMFCD006675512-((3-OXOCYCLOHEX-1-ENYL)AMINO)BENZENECARBONITRILESMR000111192

이름 더 보기

2-((3-OXOCYCLOHEX-1-ENYL)아미노)벤젠카보니트릴2-(3-OXO-CYCLOHEX-1-ENYLAMINO)-BENZONITRILE2-[(3-keto-1-cyclohexenyl)amino]benzonitrile

2-[(3-Oxo-1-cyclohexenyl)amino]benzonitrileCambridge id 5575300MLS000106816SCHEMBL8984088CHEMBL1418409CHEBI:116367HCMIHVZZMOSHIE-UHFFFAOYSA-NHMS1583P12

데이터베이스 식별자

CAS: 104675-23-2
PubChem CID: 184360
DTXSID: DTXSID50146644
ChEMBL: CHEMBL1418409
ChEBI: CHEBI:116367
EC Number: 148-779-7
Nikkaji: J821.822F

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 52.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 350

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.