1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(2-((2-methyl-1-oxo-2-propen-1-yl)oxy)ethyl)-, nitrate (1:1)

HCID 3034786CAS 67596-04-7

基本情報

標準SMILES: C=C(C)C(=O)OCC[N+](C)(C)CC(O)CCl.O=[N+]([O-])[O-]
InChIKey: PBTJSEJAYNNNMM-UHFFFAOYSA-N
分子式: C11H21ClNO3.NO3
平均分子量: 312.75 g/mol
単同位体質量: 312.10881407

名称と識別子

優先名称: 1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(2-((2-methyl-1-oxo-2-propen-1-yl)oxy)ethyl)-, nitrate (1:1)
IUPAC: (3-chloro-2-hydroxypropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium nitrate
英語名: (3-chloro-2-hydroxypropyl)dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium nitrate
分子式: C11H21ClN2O6
分子量: 312.74724

名称と別名

67596-04-7EINECS 266-750-8(2-Hydroxy-3-chloropropyl)(2-methacryloyloxyethyl)dimethylammonium nitrateDTXSID40886840(2-Hydroxy-3-chloropropyl)(methacryloxyethyl)dimethylammonium nitrate1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(2-((2-methyl-1-oxo-2-propen-1-yl)oxy)ethyl)-, nitrate (1:1)1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(2-((2-methyl-1-oxo-2-propenyl)oxy)ethyl)-, nitrate1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-, nitrate (1:1)RefChem:77087DTXCID901026159PBTJSEJAYNNNMM-UHFFFAOYSA-NNS00088453

名称をさらに表示

(3-chloro-2-hydroxypropyl)dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium nitrate

(3-Chloro-2-hydroxypropyl)dimethyl(2-((2-methyl-1-oxoallyl)oxy)ethyl)ammonium nitrate3-Chloro-2-hydroxy-N,N-dimethyl-N-{2-[(2-methylprop-2-enoyl)oxy]ethyl}propan-1-aminium nitrate

データベース識別子

CAS: 67596-04-7
PubChem CID: 3034786
DTXSID: DTXSID40886840
EC Number: 266-750-8

物性

構造計算による物性

極性表面積: 109 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 8
重原子数: 20
形式電荷: 0
複雑度: 272

物理化学的性質

EPAの化学物質情報: (2-Hydroxy-3-chloropropyl)(2-methacryloyloxyethyl)dimethylammonium nitrate (67596-04-7)

安全と法規制

危険有害性情報

Regulatory InformationChemical: 1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]-, nitrate

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing Information1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-, nitrate (1:1): INACTIVE