2-methylpropane-1,2-diamine

• ChemBase ID: 87325
• Molecular Formular: C4H12N2
• Molecular Mass: 88.15148
• Monoisotopic Mass: 88.10004839
• SMILES: NCC(C)(C)N
• Canonical SMILES: NCC(N)(C)C
• InChI: InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
• InChIKey: OPCJOXGBLDJWRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpropane-1,2-diamine
• IUPAC Traditional name: 1,2-propanediamine, 2-methyl-
• Synonyms: 1,2-Diamino-2-methylpropane; 2-Methylpropane-1,2-diamine

Database IDs

• CAS Number: 811-93-8
• PubChem SID: 162074432
• PubChem CID: 13128

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.4715667
• LogD (pH = 7.4): -3.4195433
• Log P: -0.72529095
• Molar Refractivity: 26.9256 cm^3
• Polarizability: 11.1656475 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 52°C
• Flash Point: 23°C
• Density: 0.85

Safety Information

• Storage Warning: Corrosive/Flammable