4-(2-hydrazinylethyl)morpholine

• ChemBase ID: 61483
• Molecular Formular: C6H15N3O
• Molecular Mass: 145.2028
• Monoisotopic Mass: 145.12151212
• SMILES: C1N(CCNN)CCOC1
• Canonical SMILES: NNCCN1CCOCC1
• InChI: InChI=1S/C6H15N3O/c7-8-1-2-9-3-5-10-6-4-9/h8H,1-7H2
• InChIKey: MEXIDHXEOHJKLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-hydrazinylethyl)morpholine
• IUPAC Traditional name: 4-(2-hydrazinylethyl)morpholine
• Synonyms: 4-(2-Hydrazinylethyl)morpholine; 4-(2-hydrazinoethyl)morpholine dioxalate

Database IDs

• CAS Number: 2154-24-7
• MDL Number: MFCD07786279
• PubChem SID: 162027224
• PubChem CID: 3029394

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0232782
• LogD (pH = 7.4): -1.0580765
• Log P: -1.0099702
• Molar Refractivity: 51.9893 cm^3
• Polarizability: 16.126284 Å^3
• Polar Surface Area: 50.52 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -1.538
• Hydrophobicity(logP): -0.639

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%
• Salt Data: 2 (COOH)2