morpholine-4-carbohydrazide

• ChemBase ID: 81724
• Molecular Formular: C5H11N3O2
• Molecular Mass: 145.15974
• Monoisotopic Mass: 145.08512661
• SMILES: N1(C(=O)NN)CCOCC1
• Canonical SMILES: NNC(=O)N1CCOCC1
• InChI: InChI=1S/C5H11N3O2/c6-7-5(9)8-1-3-10-4-2-8/h1-4,6H2,(H,7,9)
• InChIKey: XOGXFOXHAJFGKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-4-carbohydrazide
• IUPAC Traditional name: morpholine-4-carbohydrazide
• Synonyms: Morpholine-4-carboxylic acid hydrazide; Morpholine-4-carbohydrazide

Database IDs

• CAS Number: 29053-23-4
• MDL Number: MFCD01570142
• PubChem SID: 162068843
• PubChem CID: 2777679

CALCULATED PROPERTIES

• Acid pKa: 12.631677
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4330776
• LogD (pH = 7.4): -1.4314809
• Log P: -1.4314579
• Molar Refractivity: 36.4946 cm^3
• Polarizability: 13.765921 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): -1.486

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%