1-propanaminium, n,n-dimethyl-n-(3-((2-methyl-1-oxo-2-propen-1-yl)amino)propyl)-3-sulfo-, inner salt

HCID 78883CAS 5205-95-8

基本情報

標準SMILES: C=C(C)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChIKey: OIETYYKGJGVJFT-UHFFFAOYSA-N
分子式: C12H24N2O4S
平均分子量: 292.4 g/mol

名称と識別子

優先名称: 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

名称と別名

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

名称をさらに表示

3-((3-Methacrylamidopropyl)Dimethylammonio)Propane-1-SulfonateDimethyl(3-((2-methyl-1-oxoallyl)amino)propyl)-3-sulphopropylammonium hydroxideSCHEMBL35104AKOS015894700AS-49361SY122227U0119H11327

データベース識別子

CAS: 5205-95-8
PubChem CID: 78883
EC Number: 226-003-9
Nikkaji: J297.940C

物性

構造計算による物性

XLogP: 0.1
極性表面積: 94.7 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 8
重原子数: 19
形式電荷: 0
複雑度: 397

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (50%)

化学と産業

用途と製造

General Manufacturing Information1-Propanaminium, N,N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propen-1-yl)amino]propyl]-3-sulfo-, inner salt: ACTIVE