2-(morpholin-4-yl)propanehydrazide dihydrochloride

• ChemBase ID: 143899
• Molecular Formular: C7H17Cl2N3O2
• Molecular Mass: 246.13478
• Monoisotopic Mass: 245.06978216
• SMILES: CC(C(=O)NN)N1CCOCC1.Cl.Cl
• Canonical SMILES: NNC(=O)C(N1CCOCC1)C.Cl.Cl
• InChI: InChI=1S/C7H15N3O2.2ClH/c1-6(7(11)9-8)10-2-4-12-5-3-10;;/h6H,2-5,8H2,1H3,(H,9,11);2*1H
• InChIKey: RJPAHZIMQDRFIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)propanehydrazide dihydrochloride
• IUPAC Traditional name: 2-(morpholin-4-yl)propanehydrazide dihydrochloride
• Synonyms: 2-Morpholin-4-ylpropanohydrazide dihydrochloride

Database IDs

• MDL Number: MFCD18071200
• PubChem SID: 162238116
• PubChem CID: 53398807

CALCULATED PROPERTIES

• Acid pKa: 12.75876
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.7290651
• LogD (pH = 7.4): -1.103263
• Log P: -1.0850017
• Molar Refractivity: 45.9474 cm^3
• Polarizability: 17.78367 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H17Cl2N3O2

DETAILS

Sigma Aldrich - CBR00660

Other Notes
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