Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate

HCID 46292

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Basic information

CAS: 63991-63-9
Standard SMILES: CCCCCC[NH2+]Cc1ccc(C(C)C)cc1.O=S(=O)([O-])O
InChIKey: UULVREWTEAQBQF-UHFFFAOYSA-N
Molecular formula: C16H29NO4S
Average molar mass: 331.5 g/mol
Monoisotopic mass: 331.18172958

Names & identifiers

Preferred name: Benzylamine, N-hexyl-p-isopropyl-, hydrogen sulfate
IUPAC: hexyl-[(4-propan-2-ylphenyl)methyl]azanium;hydrogen sulfate

Names & synonyms

p-Isopropylbenzylhexylamine sulfate63991-63-9BENZYLAMINE, N-HEXYL-p-ISOPROPYL-, HYDROGEN SULFATEHexylamine, N-(p-isopropylbenzyl)-, hydrogen sulfateDTXSID30213944RefChem:328821DTXCID60136435N-{[4-(Propan-2-yl)phenyl]methyl}hexan-1-aminium hydrogen sulfate

Database identifiers

CAS: 63991-63-9
PubChem CID: 46292
DTXSID: DTXSID30213944

Properties

Computed structural properties

Topological polar surface area: 102 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 244

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