Acetamide, N-[3-[[4-(diethylamino)-2-methylphenyl]imino]-6-oxo-1,4-cyclohexadien-1-yl]-
기본 정보
- CAS
96141-86-5- 표준 SMILES
CCN(CC)c1ccc(N=C2C=CC(=O)C(NC(C)=O)=C2)c(C)c1- InChIKey
CHGIHVWOAFUQLD-UHFFFAOYSA-N- 분자식
- C19H23N3O2
- 평균 분자량
- 325.4 g/mol
- 단동위원소 질량
- 325.17902698
이름 및 식별자
- 우선 이름
- Acetamide, N-[3-[[4-(diethylamino)-2-methylphenyl]imino]-6-oxo-1,4-cyclohexadien-1-yl]-
- IUPAC
- N-[3-[4-(diethylamino)-2-methylphenyl]imino-6-oxocyclohexa-1,4-dien-1-yl]acetamide
- 영어명
- Acetamide, N-(3-((4-(diethylamino)-2-methylphenyl)imino)-6-oxo-1,4-cyc lohexadien-1-yl)-
- 분자식
- C19H23N3O2
- 분자량
- 325.41
이름 및 동의어
EC 414-740-0DTXSID6072976Acetamide, N-(3-((4-(diethylamino)-2-methylphenyl)imino)-6-oxo-1,4-cyclohexadien-1-yl)-Acetamide, N-[3-[[4-(diethylamino)-2-methylphenyl]imino]-6-oxo-1,4-cyclohexadien-1-yl]-N-(3-((4-(Diethylamino)-2-methylphenyl)imino)-6-oxo-1,4-cyclohexadienyl)acetamideN-[3-[[4-(diethylamino)-2-methylphenyl]imino]-6-oxo-1,4-cyclohexadienyl]acetamideRefChem:551695DTXCID7049003414-740-096141-86-5NSC14749ACETAMIDE,N-(3-((4-(DIETHYLAMINO)-2-METHYLPHENYL)IMINO)-6-OXO-1,4-CYCLOHEXADIEN-1-YL)-
이름 더 보기
N-[3-[4-(diethylamino)-2-methylanilino]-6-oxocyclohexa-2,4-dien-1-ylidene]acetamide4-cyclohexadien-1-yl]-Acetamide N-[3-[[4-(diethylamino)-2-methylphenyl]imino]-6-oxo-1
SCHEMBL13845515CHGIHVWOAFUQLD-UHFFFAOYSA-NNSC-14749N-(3-{[4-(diethylamino)-2-methylphenyl]imino}-6-oxocyclohexa-1,4-dien-1-yl)acetamideLS-14724NS00040475Acetamide, N-(3-((4-(diethylamino)-2-methylphenyl)imino)-6-oxo-1,4-cyc lohexadien-1-yl)-N-((3E)-3-{[4-(Diethylamino)-2-methylphenyl]imino}-6-oxocyclohexa-1,4-dien-1-yl)acetamide
데이터베이스 식별자
- CAS
96141-86-5- PubChem CID
- 135408802
- DTXSID
DTXSID6072976- EC Number
- 414-740-0
- Nikkaji
- J551.789C
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 61.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 573
물리화학적 성질
- 끓는 점
- 537.174 · 537.174±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.112 · 1.112±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 10.438 · 10.438±0.20(predicted)
- EPA
- 3 · Acetamide, N-[3-[[4-(diethylamino)-2-methylphenyl]imino]-6-oxo-1,4-cyclohexadien-1-yl]- (96141-86-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: N-[3-[[4-(diethylamino)-2-methylphenyl]imino]-6-oxo-1,4-cyclohexadienyl]acetamide (EC: 414-740-0)
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
안전 데이터
- tsca
- TSCA listed
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
화학 및 산업
용도 및 제조
General Manufacturing InformationAcetamide, N-[3-[[4-(diethylamino)-2-methylphenyl]imino]-6-oxo-1,4-cyclohexadien-1-yl]-: ACTIVE
관련 반응
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