Dimethyldiallylammonium

HCID 33287

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Basic information

CAS: 48042-45-1
Standard SMILES: C=CC[N+](C)(C)CC=C
InChIKey: YIOJGTBNHQAVBO-UHFFFAOYSA-N
Molecular formula: C8H16N+
Average molar mass: 126.22 g/mol
Monoisotopic mass: 126.12827452

Names & identifiers

Preferred name: Dimethyldiallylammonium
IUPAC: dimethyl-bis(prop-2-enyl)azanium

Names & synonyms

dimethyldiallylammonium48042-45-1diallyldimethylammonium19NLS9EJIYUNII-19NLS9EJIYDTXSID10472372-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-RefChem:134331DTXCID9027237dimethyl-bis(prop-2-enyl)azaniumN-Allyl-N,N-dimethylprop-2-en-1-aminiumdiallyl(dimethyl)ammonium

Show more names

2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-SCHEMBL33742CHEMBL3306820NCGC00249098-01NS00013990Q27252124N,N-dimethyl-N-(prop-2-en-1-yl)prop-2-en-1-aminium

Database identifiers

CAS: 48042-45-1
PubChem CID: 33287
DTXSID: DTXSID1047237
ChEMBL: CHEMBL3306820
UNII: 19NLS9EJIY
Nikkaji: J238.262H

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 1
Complexity: 91.1

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Compound notes

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