3-(dimethylamino)propanehydrazide

• ChemBase ID: 53598
• Molecular Formular: C5H13N3O
• Molecular Mass: 131.17622
• Monoisotopic Mass: 131.10586205
• SMILES: C(=O)(CCN(C)C)NN
• Canonical SMILES: NNC(=O)CCN(C)C
• InChI: InChI=1S/C5H13N3O/c1-8(2)4-3-5(9)7-6/h3-4,6H2,1-2H3,(H,7,9)
• InChIKey: SYUSPJZZPLJCLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethylamino)propanehydrazide
• IUPAC Traditional name: 3-(dimethylamino)propanehydrazide
• Synonyms: 3-(Dimethylamino)propanohydrazide

Database IDs

• CAS Number: 22636-79-9
• MDL Number: MFCD04635439
• PubChem SID: 162058361
• PubChem CID: 2440513

CALCULATED PROPERTIES

• Acid pKa: 13.372616
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.4670486
• LogD (pH = 7.4): -2.943354
• Log P: -1.1982528
• Molar Refractivity: 37.0784 cm^3
• Polarizability: 14.110443 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186 - 188°C
• Hydrophobicity(logP): -1.034

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%