(1-aminocyclopropyl)methanol hydrochloride

• ChemBase ID: 68514
• Molecular Formular: C4H10ClNO
• Molecular Mass: 123.5813
• Monoisotopic Mass: 123.04509163
• SMILES: C1(CC1)(CO)N.Cl
• Canonical SMILES: OCC1(N)CC1.Cl
• InChI: InChI=1S/C4H9NO.ClH/c5-4(3-6)1-2-4;/h6H,1-3,5H2;1H
• InChIKey: ULEMJGCUGKDKTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-aminocyclopropyl)methanol hydrochloride
• IUPAC Traditional name: (1-aminocyclopropyl)methanol hydrochloride
• Synonyms: 1-Aminocyclopropanemethanol hydrochloride; (1-aminocyclopropyl)methanol hydrochloride

Database IDs

• CAS Number: 115652-52-3
• MDL Number: MFCD09834330
• PubChem SID: 162034245
• PubChem CID: 14146222

CALCULATED PROPERTIES

• Acid pKa: 14.7846155
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.9287434
• LogD (pH = 7.4): -3.128866
• Log P: -0.9262276
• Molar Refractivity: 23.3119 cm^3
• Polarizability: 9.517664 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): -0.951

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%