3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, phosphate (1:1)
기본 정보
- CAS
72208-21-0- 표준 SMILES
CN(CCC#N)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.O=P([O-])(O)O- InChIKey
XVIVSJJRGUZEAO-UHFFFAOYSA-M- 분자식
- C23H26N3.H2O4P
- 평균 분자량
- 441.5 g/mol
- 단동위원소 질량
- 441.18174338
이름 및 식별자
- 우선 이름
- 3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, phosphate (1:1)
- IUPAC
- dihydrogen phosphate;3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile
이름 및 동의어
C.I. Basic Red 14, phosphateEINECS 276-471-372208-21-02-(p-((2-Cyanoethyl)methylamino)styryl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, phosphate (1:1)3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, phosphate (1:1)DTXSID70891043RefChem:95789DTXCID1010302913H-Indolium, 2-2-4-(2-cyanoethyl)methylaminophenylethenyl-1,3,3-trimethyl-, phosphate (1:1)C.I. Basic Red 14 (phosphate)2-(2-(4-((2-Cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
이름 더 보기
2-[2-[4-[(2-Cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
데이터베이스 식별자
- CAS
72208-21-0- PubChem CID
- 56843636
- EC Number
물성
구조 계산 물성
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 648
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 42.9% (3 of 7) of reports.
Warning
H302 (57.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, phosphate (1:1)
REACH registered substance: 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate (EC: 276-471-3)
3H-Indolium, 2-2-4-(2-cyanoethyl)methylaminophenylethenyl-1,3,3-trimethyl-, phosphate (1:1): 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 (57.1%)
화학 및 산업
용도 및 제조
General Manufacturing Information3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, phosphate (1:1): ACTIVE
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