4-(1-chloropropan-2-yl)morpholine

• ChemBase ID: 308708
• Molecular Formular: C7H14ClNO
• Molecular Mass: 163.64516
• Monoisotopic Mass: 163.07639175
• SMILES: N1(C(CCl)C)CCOCC1
• Canonical SMILES: ClCC(N1CCOCC1)C
• InChI: InChI=1S/C7H14ClNO/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6H2,1H3
• InChIKey: PTZCJFNGSYXQBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-chloropropan-2-yl)morpholine
• IUPAC Traditional name: 4-(1-chloropropan-2-yl)morpholine
• Synonyms: 4-(2-chloro-1-methylethyl)morpholine

Database IDs

• CAS Number: 76191-26-9
• MDL Number: MFCD12030778

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.03424297
• LogD (pH = 7.4): 1.0038537
• Log P: 1.0527339
• Molar Refractivity: 42.8247 cm^3
• Polarizability: 16.948645 Å^3
• Polar Surface Area: 12.47 Å^2