2-propoxypropan-1-amine hydrochloride

• ChemBase ID: 55228
• Molecular Formular: C6H16ClNO
• Molecular Mass: 153.65034
• Monoisotopic Mass: 153.09204182
• SMILES: NCC(OCCC)C.Cl
• Canonical SMILES: CCCOC(CN)C.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-3-4-8-6(2)5-7;/h6H,3-5,7H2,1-2H3;1H
• InChIKey: QHBGWMZPZTZZRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propoxypropan-1-amine hydrochloride
• IUPAC Traditional name: 2-propoxypropan-1-amine hydrochloride
• Synonyms: (2-Propoxypropyl)amine hydrochloride

Database IDs

• CAS Number: 883533-22-0
• MDL Number: MFCD13250110
• PubChem SID: 162059991
• PubChem CID: 53433460

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3643274
• LogD (pH = 7.4): -1.4243358
• Log P: 0.623471
• Molar Refractivity: 34.6537 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false