2-methoxypropan-1-amine hydrochloride

• ChemBase ID: 15420
• Molecular Formular: C4H12ClNO
• Molecular Mass: 125.59718
• Monoisotopic Mass: 125.06074169
• SMILES: NCC(OC)C.Cl
• Canonical SMILES: CC(OC)CN.Cl
• InChI: InChI=1S/C4H11NO.ClH/c1-4(3-5)6-2;/h4H,3,5H2,1-2H3;1H
• InChIKey: HDXPVDSGCDOOFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypropan-1-amine hydrochloride
• IUPAC Traditional name: 2-methoxypropan-1-amine hydrochloride
• Synonyms: 2-Methoxy-1-propanamine hydrochloride

Database IDs

• CAS Number: 70807-90-8
• MDL Number: MFCD08146657
• PubChem SID: 160978727
• PubChem CID: 17178035

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2437024
• LogD (pH = 7.4): -2.304067
• Log P: -0.25585935
• Molar Refractivity: 25.3811 cm^3
• Polarizability: 10.314882 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false