2-(azidomethyl)-4-(2-methylpropyl)morpholine

• ChemBase ID: 242242
• Molecular Formular: C9H18N4O
• Molecular Mass: 198.26542
• Monoisotopic Mass: 198.14806122
• SMILES: [N+](=[N-])=NCC1OCCN(C1)CC(C)C
• Canonical SMILES: CC(CN1CCOC(C1)CN=[N+]=[N-])C
• InChI: InChI=1S/C9H18N4O/c1-8(2)6-13-3-4-14-9(7-13)5-11-12-10/h8-9H,3-7H2,1-2H3
• InChIKey: XVWVCOFXLLYADM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azidomethyl)-4-(2-methylpropyl)morpholine
• IUPAC Traditional name: 2-(azidomethyl)-4-(2-methylpropyl)morpholine
• Synonyms: 2-(azidomethyl)-4-(2-methylpropyl)morpholine

Database IDs

• MDL Number: MFCD14652476
• PubChem SID: 164298152
• PubChem CID: 61374386

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1626754
• LogD (pH = 7.4): 0.5999857
• Log P: 1.4059817
• Molar Refractivity: 55.0618 cm^3
• Polarizability: 21.069267 Å^3
• Polar Surface Area: 41.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.816

Product Information

• Purity: 95%