2,3-Diamino-3-iminopropanamide

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Basic information

CAS: 16014-63-4
Standard SMILES: N=C(N)C(N)C(N)=O
InChIKey: UDMVDBBCSGOEFJ-UHFFFAOYSA-N
Molecular formula: C3H8N4O
Average molar mass: 116.12 g/mol
Monoisotopic mass: 116.06981089

Names & identifiers

Preferred name: 2,3-Diamino-3-iminopropanamide
IUPAC: 2,3-diamino-3-iminopropanamide
English name: 2-amino-2-carbamimidoyl-acetamide
Molecular formula: C3H8N4O
Molecular weight: 0

Names & synonyms

2,3-diamino-3-iminopropanamide16014-63-4DTXSID90329030RefChem:244423DTXCID102801342-AMIDINO-2-AMINOACETAMIDE75033-23-72-AMINO-2-CARBAMIMIDOYL-ACETAMIDE3-Amino-3-iminoalaninamideSCHEMBL9380518UDMVDBBCSGOEFJ-UHFFFAOYSA-NAKOS006328564

Show more names

AB53459C90281

Database identifiers

CAS: 16014-63-4
PubChem CID: 416765
DTXSID: DTXSID90329030
Nikkaji: J39.903E

Properties

Computed structural properties

XLogP: -2.5
Topological polar surface area: 119 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 120

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Compound notes

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