3-methyloxan-3-amine hydrochloride

• ChemBase ID: 246657
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: C1(N)(COCCC1)C.Cl
• Canonical SMILES: CC1(N)CCCOC1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-6(7)3-2-4-8-5-6;/h2-5,7H2,1H3;1H
• InChIKey: CIZNGHOPNAVEOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyloxan-3-amine hydrochloride
• IUPAC Traditional name: 3-methyloxan-3-amine hydrochloride
• Synonyms: 3-methyloxan-3-amine hydrochloride

Database IDs

• PubChem SID: 164302567
• PubChem CID: 71758044

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9437962
• LogD (pH = 7.4): -2.3683355
• Log P: 0.07370683
• Molar Refractivity: 32.8117 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.244

Product Information

• Purity: 95%