N-에틸-N-3-((3-디메틸아미노-1-옥소-2-프로페닐)페닐)아세트아미드

N-(3-(3-(Dimethylamino)-1-oxo-2-propenyl)phenyl)-N-ethylacetamide

HCID 53395302

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 96605-66-2
표준 SMILES: CCN(C(C)=O)c1cccc(C(=O)C=CN(C)C)c1
InChIKey: UXWJJVRASIHSQS-UHFFFAOYSA-N
분자식: C15H20N2O2
평균 분자량: 260.33 g/mol
단동위원소 질량: 260.15247788

이름 및 식별자

우선 이름: N-(3-(3-(Dimethylamino)-1-oxo-2-propenyl)phenyl)-N-ethylacetamide
IUPAC: N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylacetamide
현지명: N-에틸-N-3-((3-디메틸아미노-1-옥소-2-프로페닐)페닐)아세트아미드
영어명: N-Ethyl-N-3-((3-dimethylamino-1-oxo-2-propenyl)phenyl)acetamide
분자식: C15H20N2O2
분자량: 260.33

이름 및 동의어

DTXSID101168373N-[3-[3-(dimethylamino)-1-oxo-2-propenyl]phenyl]-N-ethylacetamideN-(3-(3-(Dimethylamino)-1-oxo-2-propenyl)phenyl)-N-ethylacetamideN-{3-[3-(dimethylamino)-1-oxo-2-propenyl]phenyl}-N-ethylacetamideRefChem:826039DTXCID20159979796605-66-2Acetamide, N-[3-[3-(dimethylamino)-1-oxo-2-propenyl]phenyl]-N-ethyl-N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylacetamideN-{3-[3-(dimethylamino)prop-2-enoyl]phenyl}-N-ethylacetamideN-[3-(3-DIMETHYLAMINO-1-OXO-2-PROPENYL)PHENYL]-N-ETHYLACETAMIDEZaleplon Impurity 12

이름 더 보기

N-에틸-N-3-((3-디메틸아미노-1-옥소-2-프로페닐)페닐)아세트아미드Zaleplon Impurity 2N-Ethyl-N-3-((3-dimeZaleplon related coMpound A2-propenyl]phenyl]-N-ethyl-N-Ethyl-N-3-[(3-Dimethylamine-Zaleplon Related CoMpound A CIVZaleplon USP Related Compound AAcetamide, N-[3-[3-(dimethylamino)-1-oxo-N-Ethyl-N-3-[(3-diMethylaMine-1-oxo-2-propene)phen

N-[3-(3-Dimethylaminoacryloyl)phenyl]-N-ethylacetamide-d5SCHEMBL899889SCHEMBL31531972UXWJJVRASIHSQS-UHFFFAOYSA-NAKOS028110052D4259N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethyl-acetamideN-[3-[3-(dimethylamino) 1-oxo-2-propenyl]phenyl]-N-ethylacetamide

데이터베이스 식별자

CAS: 96605-66-2
PubChem CID: 53395302
DTXSID: DTXSID101168373
EC Number: 619-229-8

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 40.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 350

물리화학적 성질

녹는점: 111 to · 111.0 to 115.0 °C
끓는 점: 400.7 · 400.7±45.0 °C(Predicted)
밀도: 1.087 · 1.087±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 디클로로메탄에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 6.4 · 6.40±0.70(Predicted)
색상: Light orange to Yellow to Green
주요 응용: 의약품(소분자)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.