3-[(3-methoxypropyl)amino]propanehydrazide

• ChemBase ID: 24282
• Molecular Formular: C7H17N3O2
• Molecular Mass: 175.22878
• Monoisotopic Mass: 175.1320768
• SMILES: C(=O)(CCNCCCOC)NN
• Canonical SMILES: COCCCNCCC(=O)NN
• InChI: InChI=1S/C7H17N3O2/c1-12-6-2-4-9-5-3-7(11)10-8/h9H,2-6,8H2,1H3,(H,10,11)
• InChIKey: GYBZCMULVAQARB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3-methoxypropyl)amino]propanehydrazide
• IUPAC Traditional name: 3-[(3-methoxypropyl)amino]propanehydrazide
• Synonyms: 3-[(3-Methoxypropyl)amino]propanohydrazide

Database IDs

• MDL Number: MFCD10687252
• PubChem SID: 160987589
• PubChem CID: 28306977

CALCULATED PROPERTIES

• Acid pKa: 13.190825
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.7655005
• LogD (pH = 7.4): -3.8060625
• Log P: -1.5683165
• Molar Refractivity: 47.6926 cm^3
• Polarizability: 18.49946 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false