n-(4-Nitrobenzyl)butan-1-amine

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Basic information

CAS: 62498-75-3
Standard SMILES: CCCCNCc1ccc([N+](=O)[O-])cc1
InChIKey: JDTNKBOSGXXCOP-UHFFFAOYSA-N
Molecular formula: C11H16N2O2
Average molar mass: 208.26 g/mol
Monoisotopic mass: 208.12117776

Names & identifiers

Preferred name: n-(4-Nitrobenzyl)butan-1-amine
IUPAC: N-[(4-nitrophenyl)methyl]butan-1-amine

Names & synonyms

62498-75-3n-(4-nitrobenzyl)butan-1-amineDTXSID90281301RefChem:362191DTXCID50232455BUTYL[(4-NITROPHENYL)METHYL]AMINEN-[(4-nitrophenyl)methyl]butan-1-amineNSC21227SCHEMBL3117616NSC-21227AKOS000251133EN300-169085

Database identifiers

CAS: 62498-75-3
PubChem CID: 228359
DTXSID: DTXSID90281301
Nikkaji: J1.271.676A

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 57.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 184

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Compound notes

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