기본 정보
- 표준 SMILES
C=C(C)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]- InChIKey
OIETYYKGJGVJFT-UHFFFAOYSA-N- 분자식
- C12H24N2O4S
- 평균 분자량
- 292.4 g/mol
이름 및 식별자
- 우선 이름
- 1-propanaminium, n,n-dimethyl-n-(3-((2-methyl-1-oxo-2-propen-1-yl)amino)propyl)-3-sulfo-, inner salt
- IUPAC
- 3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate
이름 및 동의어
5205-95-8EINECS 226-003-91-Propanaminium, N,N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propen-1-yl)amino]propyl]-3-sulfo-, inner salt1-Propanaminium, N,N-dimethyl-N-(3-((2-methyl-1-oxo-2-propen-1-yl)amino)propyl)-3-sulfo-, inner saltRefChem:771043-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonateMFCD000806423-SULFOPROPYLDIMETHYL-3-METHACRYLAMIDOPROPYLAMMONIUMINNERSALT[3-(Methacryloylamino)propyl]dimethyl(3-sulfopropyl)ammonium hydroxide inner salt3-[(3-Methacrylamidopropyl)dimethylammonio]propane-1-sulfonate3-{dimethyl[3-(2-methylprop-2-enamido)propyl]azaniumyl}propane-1-sulfonateN-(3-Sulfopropyl)-N-methacryloylamidopropyl-N,N-dimethylammonium betaine
이름 더 보기
3-((3-Methacrylamidopropyl)Dimethylammonio)Propane-1-SulfonateDimethyl(3-((2-methyl-1-oxoallyl)amino)propyl)-3-sulphopropylammonium hydroxideSCHEMBL35104AKOS015894700AS-49361SY122227U0119H11327
데이터베이스 식별자
- CAS
5205-95-8- PubChem CID
- 78883
- EC Number
- 226-003-9
- Nikkaji
- J297.940C
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 94.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 397
안전 및 규제
GHS 분류
GHS Classification
Warning
H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
화학 및 산업
용도 및 제조
General Manufacturing Information1-Propanaminium, N,N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propen-1-yl)amino]propyl]-3-sulfo-, inner salt: ACTIVE
관련 반응
2건
연결된 노트
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