1-ethoxypropan-2-amine hydrochloride

• ChemBase ID: 15412
• Molecular Formular: C5H14ClNO
• Molecular Mass: 139.62376
• Monoisotopic Mass: 139.07639175
• SMILES: NC(COCC)C.Cl
• Canonical SMILES: CCOCC(N)C.Cl
• InChI: InChI=1S/C5H13NO.ClH/c1-3-7-4-5(2)6;/h5H,3-4,6H2,1-2H3;1H
• InChIKey: UMXZWKSCBDODJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxypropan-2-amine hydrochloride
• IUPAC Traditional name: 1-ethoxypropan-2-amine hydrochloride
• Synonyms: 1-ethoxypropan-2-amine hydrochloride; 1-Ethoxy-2-propanamine hydrochloride

Database IDs

• CAS Number: 1185304-14-6
• MDL Number: MFCD09879167
• PubChem SID: 160978719
• PubChem CID: 45074950

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9025874
• LogD (pH = 7.4): -2.1145782
• Log P: 0.1009486
• Molar Refractivity: 30.1297 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 0.166

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%