3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanehydrazide

• ChemBase ID: 238245
• Molecular Formular: C10H21N3O2
• Molecular Mass: 215.29264
• Monoisotopic Mass: 215.16337693
• SMILES: N1(CC(C(=O)NN)C)CC(OC(C1)C)C
• Canonical SMILES: NNC(=O)C(CN1CC(C)OC(C1)C)C
• InChI: InChI=1S/C10H21N3O2/c1-7(10(14)12-11)4-13-5-8(2)15-9(3)6-13/h7-9H,4-6,11H2,1-3H3,(H,12,14)
• InChIKey: DOXDICKGIDCSNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanehydrazide
• IUPAC Traditional name: 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanehydrazide
• Synonyms: 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanohydrazide

Database IDs

• MDL Number: MFCD06655135
• PubChem SID: 164294155
• PubChem CID: 3468245

CALCULATED PROPERTIES

• Acid pKa: 13.134913
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7163002
• LogD (pH = 7.4): -0.94170946
• Log P: -0.040616922
• Molar Refractivity: 59.565 cm^3
• Polarizability: 23.285141 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70 - 72°C
• Hydrophobicity(logP): 0.197

Product Information

• Purity: 95%