2-methyl-3-(morpholin-4-yl)propanehydrazide

• ChemBase ID: 35191
• Molecular Formular: C8H17N3O2
• Molecular Mass: 187.23948
• Monoisotopic Mass: 187.1320768
• SMILES: C(C(=O)NN)(CN1CCOCC1)C
• Canonical SMILES: NNC(=O)C(CN1CCOCC1)C
• InChI: InChI=1S/C8H17N3O2/c1-7(8(12)10-9)6-11-2-4-13-5-3-11/h7H,2-6,9H2,1H3,(H,10,12)
• InChIKey: MNFUQKDADQKWNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(morpholin-4-yl)propanehydrazide
• IUPAC Traditional name: 2-methyl-3-(morpholin-4-yl)propanehydrazide
• Synonyms: 2-Methyl-3-morpholin-4-ylpropanohydrazide

Database IDs

• CAS Number: 155219-09-3
• MDL Number: MFCD06345728
• PubChem SID: 160998498
• PubChem CID: 3842631

CALCULATED PROPERTIES

• Acid pKa: 13.020347
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0049424
• LogD (pH = 7.4): -1.3146852
• Log P: -0.87376696
• Molar Refractivity: 50.7274 cm^3
• Polarizability: 19.615421 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86 - 88°C
• Hydrophobicity(logP): -0.761

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%