4-methyloxan-4-amine hydrochloride

• ChemBase ID: 242565
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: C1(N)(CCOCC1)C.Cl
• Canonical SMILES: CC1(N)CCOCC1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-6(7)2-4-8-5-3-6;/h2-5,7H2,1H3;1H
• InChIKey: JBTIPAKRVUCURY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyloxan-4-amine hydrochloride
• IUPAC Traditional name: 4-methyloxan-4-amine hydrochloride
• Synonyms: 4-methyloxan-4-amine hydrochloride; 4-Methyltetrahydro-2H-pyran-4-amine hydrochloride

Database IDs

• CAS Number: 851389-38-3
• MDL Number: MFCD13184221
• PubChem SID: 164298475
• PubChem CID: 18437372

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4127588
• LogD (pH = 7.4): -3.1751323
• Log P: -0.3836961
• Molar Refractivity: 33.0325 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): -0.513

Product Information

• Purity: 95%; 95+%