1-Azido-3-phenylpropan-2-amine

HCID 14802496

Substructure search Find similar structures

Basic information

Standard SMILES: [N-]=[N+]=NCC(N)Cc1ccccc1
InChIKey: PEXYWNARVQJCTP-UHFFFAOYSA-N
Molecular formula: C9H12N4
Average molar mass: 176.22 g/mol

Names & identifiers

Preferred name: 1-Azido-3-phenylpropan-2-amine
IUPAC: 1-azido-3-phenylpropan-2-amine

Names & synonyms

SCHEMBL13912597

Database identifiers

PubChem CID: 14802496
Nikkaji: J2.320.303K

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 40.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 180

Related reactions

5 records

New reaction record

HRID 88095 reaction equation

HRID 88095As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 160431 reaction equation

HRID 160431As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 170995 reaction equation

HRID 170995As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 292496 reaction equation

HRID 292496As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 316702 reaction equation

HRID 316702As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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