2-(propan-2-yl)morpholine hydrochloride

• ChemBase ID: 247464
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: N1CC(OCC1)C(C)C.Cl
• Canonical SMILES: CC(C1OCCNC1)C.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-6(2)7-5-8-3-4-9-7;/h6-8H,3-5H2,1-2H3;1H
• InChIKey: PEVRUEPOMQGBPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)morpholine hydrochloride
• IUPAC Traditional name: 2-isopropylmorpholine hydrochloride
• Synonyms: 2-(propan-2-yl)morpholine hydrochloride; 2-Isopropylmorpholine hydrochloride

Database IDs

• CAS Number: 1432678-91-5
• PubChem SID: 164303374
• PubChem CID: 71758228

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.986937
• LogD (pH = 7.4): -0.35452187
• Log P: 0.8926913
• Molar Refractivity: 37.1823 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.039

Product Information

• Purity: 95%; 95+%