bis((1R,2S)-cyclopropane-1,2-dicarbohydrazide) trihydrate

• ChemBase ID: 73960
• Molecular Formular: C10H26N8O7
• Molecular Mass: 370.36284
• Monoisotopic Mass: 370.19244521
• SMILES: N(C(=O)[C@@H]1[C@@H](C1)C(=O)NN)N.N(C(=O)[C@@H]1[C@@H](C1)C(=O)NN)N.O.O.O
• Canonical SMILES: NNC(=O)[C@@H]1C[C@@H]1C(=O)NN.NNC(=O)[C@@H]1C[C@@H]1C(=O)NN.O.O.O
• InChI: InChI=1S/2C5H10N4O2.3H2O/c2*6-8-4(10)2-1-3(2)5(11)9-7;;;/h2*2-3H,1,6-7H2,(H,8,10)(H,9,11);3*1H2/t2*2-,3+
• InChIKey: HPYRGESZOODOMN-MZNLPWGXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis((1R,2S)-cyclopropane-1,2-dicarbohydrazide) trihydrate
• IUPAC Traditional name: bis((1R,2S)-cyclopropane-1,2-dicarbohydrazide) trihydrate
• Synonyms: trans-Cyclopropyl-1,2-dicarboxylic acid hydrazide sesquihydrate

Database IDs

• MDL Number: MFCD00829304
• PubChem SID: 162038879
• PubChem CID: 44119123

CALCULATED PROPERTIES

• Acid pKa: 12.284806
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.430159
• LogD (pH = 7.4): -2.4276786
• Log P: -2.4276416
• Molar Refractivity: 38.8954 cm^3
• Polarizability: 14.600005 Å^3
• Polar Surface Area: 110.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 214-216°C

Safety Information

• Storage Warning: Irritant