2-Propenamide, 3-phenyl-

HCID 12135CAS 621-79-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=O)C=Cc1ccccc1
InChIKey: APEJMQOBVMLION-UHFFFAOYSA-N
분자식: C9H9NO
평균 분자량: 147.17 g/mol
단동위원소 질량: 147.06841391

개요

cinnamamide has been reported in Aristolochia kaempferi, Reseda luteola, and other organisms with data available.

이름 및 식별자

우선 이름: 2-Propenamide, 3-phenyl-
IUPAC: 3-phenylprop-2-enamide

이름 및 동의어

2-Propenamide, 3-phenyl-DTXSID4060739RefChem:89210DTXCID80432343-phenylprop-2-enamide621-79-4MFCD00008033Cinnamic Acid Amide2-Propenamide, 3-phenyl-, (Z)-(2E)-3-PhenylacrylamideSCHEMBL159753orb1909186

이름 더 보기

SCHEMBL1821026SCHEMBL2485268SCHEMBL3345021SCHEMBL20448390APEJMQOBVMLION-UHFFFAOYSA-NAKOS022259532SY006676DB-054088

데이터베이스 식별자

CAS: 621-79-4
PubChem CID: 12135
DTXSID: DTXSID4060739
EC Number: 210-707-8

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 157

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information2-Propenamide, 3-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (100%)