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

• ChemBase ID: 230459
• Molecular Formular: C9H19N3O2
• Molecular Mass: 201.26606
• Monoisotopic Mass: 201.14772686
• SMILES: N1(CCC(=O)NN)CC(OC(C1)C)C
• Canonical SMILES: NNC(=O)CCN1CC(C)OC(C1)C
• InChI: InChI=1S/C9H19N3O2/c1-7-5-12(6-8(2)14-7)4-3-9(13)11-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)
• InChIKey: WUKPELRUTFEOBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,6-dimethylmorpholin-4-yl)propanehydrazide
• IUPAC Traditional name: 3-(2,6-dimethylmorpholin-4-yl)propanehydrazide
• Synonyms: 3-(2,6-Dimethyl-morpholin-4-yl)-propionic acid hydrazide

Database IDs

• MDL Number: MFCD04632072
• PubChem SID: 164286369
• PubChem CID: 3575113

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -2.9928355
• LogD (pH = 7.4): -1.2356026
• Log P: -0.5836032
• Molar Refractivity: 54.9905 cm^3
• Polarizability: 21.449396 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 13.123202
• H Acceptors: 4

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.112

Product Information

• Purity: 95%