기본 정보
- CAS
68527-61-7- 표준 SMILES
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.O=C([O-])c1ccccc1- InChIKey
XXDIMAOKYNRIQM-UHFFFAOYSA-M- 분자식
- C30H30N2O2
- 평균 분자량
- 450.6 g/mol
- 단동위원소 질량
- 450.2307282
이름 및 식별자
- 우선 이름
- Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, benzoate (1:1)
- IUPAC
- [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium benzoate
- 현지명
- [4-[알파-[4-(디메틸아미노)페닐]벤질리덴]사이클로헥사-2,5-디엔-1-일리덴]디메틸암모늄벤조에이트
- 영어명
- [4-[alpha-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium benzoate
- 분자식
- C37H39N3O4
- 분자량
- 589.72326
이름 및 동의어
68527-61-7EINECS 271-270-7DTXSID7071604Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, benzoateMethanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, benzoateMethanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, benzoate (1:1)Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, benzoate (1:1)RefChem:156891DTXCID9046073SCHEMBL2519297XXDIMAOKYNRIQM-UHFFFAOYSA-MNS00091342
이름 더 보기
[4-[알파-[4-(디메틸아미노)페닐]벤질리덴]사이클로헥사-2,5-디엔-1-일리덴]디메틸암모늄벤조에이트[4-[alpha-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium benzoate
(4-(alpha-(4-(Dimethylamino)phenyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium benzoate4-{[4-(Dimethylamino)phenyl](phenyl)methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium benzoate
물성
구조 계산 물성
- 극성 표면적
- 46.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 614
물리화학적 성질
- EPA
- 4 · Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, benzoate (68527-61-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationMethanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, benzoate (1:1): INACTIVE
관련 반응
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