CAS 62041-46-7 (2E)-3-(dimethylamino)-1-(3-methoxyphenyl)prop-2-en-1-one (HCID 12233520)

기본 정보

CAS: 62041-46-7
표준 SMILES: COc1cccc(C(=O)/C=C/N(C)C)c1
InChIKey: QBMMITATXZJWDG-BQYQJAHWSA-N
분자식: C12H15NO2
평균 분자량: 205.25 g/mol
단동위원소 질량: 205.11027872

이름 및 식별자

우선 이름: (2E)-3-(dimethylamino)-1-(3-methoxyphenyl)prop-2-en-1-one
IUPAC: (E)-3-(dimethylamino)-1-(3-methoxyphenyl)prop-2-en-1-one

이름 및 동의어

(2E)-3-(dimethylamino)-1-(3-methoxyphenyl)prop-2-en-1-one58316-11-362041-46-7(E)-3-(Dimethylamino)-1-(3-methoxyphenyl)prop-2-en-1-one3-(DIMETHYLAMINO)-1-(3-METHOXYPHENYL)PROP-2-EN-1-ONEMFCD11501639(2E)-3-(Dimethylamino)-1-(3-methoxyphenyl)-prop-2-en-1-one2-Propen-1-one, 3-(dimethylamino)-1-(3-methoxyphenyl)-, (2E)-V6762SCHEMBL2162778SCHEMBL31276346QBMMITATXZJWDG-BQYQJAHWSA-N

이름 더 보기

ALBB-017415AKOS002682438AS-70038CS-0289904EN300-140069H32164EN300-10826983-dimethylamino-1-(3-methoxyphenyl)-2-propen-1-one

데이터베이스 식별자

CAS: 62041-46-7
PubChem CID: 12233520
EC Number: 690-419-0
Nikkaji: J1.784.501B、J2.179.040K

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 236

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)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

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