N,N,N-Trimethylbutan-1-aminium

HCID 24399

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Basic information

CAS: 7685-30-5
Standard SMILES: CCCC[N+](C)(C)C
InChIKey: IUNCEDRRUNZACO-UHFFFAOYSA-N
Molecular formula: C7H18N+
Average molar mass: 116.22 g/mol
Monoisotopic mass: 116.14392458

Names & identifiers

Preferred name: N,N,N-Trimethylbutan-1-aminium
IUPAC: butyl(trimethyl)azanium

Names & synonyms

N,N,N-trimethylbutan-1-aminiumDTXSID1048091RefChem:358696DTXCID2028062butyltrimethylammoniumFV4NN34CKRSCHEMBL231912SCHEMBL1628041N,N,N-trimethyl-1-ButanaminiumSCHEMBL10504003

Database identifiers

CAS: 7685-30-5
PubChem CID: 24399
DTXSID: DTXSID1048091
UNII: FV4NN34CKR
Nikkaji: J386.417K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 1
Complexity: 51.9

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Compound notes

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