1,3-diaminoguanidine hydrobromide

• ChemBase ID: 255919
• Molecular Formular: CH8BrN5
• Molecular Mass: 170.01172
• Monoisotopic Mass: 168.99630728
• SMILES: C(=N)(NN)NN.Br
• Canonical SMILES: NNC(=N)NN.Br
• InChI: InChI=1S/CH7N5.BrH/c2-1(5-3)6-4;/h3-4H2,(H3,2,5,6);1H
• InChIKey: YXFUDJSESWAJRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-diaminoguanidine hydrobromide
• IUPAC Traditional name: 1,3-diaminoguanidine hydrobromide
• Synonyms: 1,3-diaminoguanidine hydrobromide

Database IDs

• MDL Number: MFCD09263152
• PubChem SID: 164311829
• PubChem CID: 20366313

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 5
• LogD (pH = 5.5): -4.145295
• LogD (pH = 7.4): -4.1073804
• Log P: -1.7001238
• Molar Refractivity: 55.8126 cm^3
• Polarizability: 8.480645 Å^3
• Polar Surface Area: 99.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -3.123

Product Information

• Purity: 95%
• Salt Data: HBr