N-methyloxan-4-amine hydrochloride

• ChemBase ID: 811164
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: Cl.N(C1CCOCC1)C
• Canonical SMILES: CNC1CCOCC1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-7-6-2-4-8-5-3-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: MMMCYLTUYKZCEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyloxan-4-amine hydrochloride
• IUPAC Traditional name: N-methyloxan-4-amine hydrochloride
• Synonyms: METHYL-(TETRAHYDRO-PYRAN-4-YL)-AMINE HCL

Database IDs

• CAS Number: 220641-87-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4639115
• LogD (pH = 7.4): -3.024796
• Log P: -0.23169237
• Molar Refractivity: 33.1689 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%