2-amino-N-cyclohexyl-N-methylacetamide hydrochloride

• ChemBase ID: 48718
• Molecular Formular: C9H19ClN2O
• Molecular Mass: 206.71296
• Monoisotopic Mass: 206.11859092
• SMILES: N(C(=O)CN)(C1CCCCC1)C.Cl
• Canonical SMILES: NCC(=O)N(C1CCCCC1)C.Cl
• InChI: InChI=1S/C9H18N2O.ClH/c1-11(9(12)7-10)8-5-3-2-4-6-8;/h8H,2-7,10H2,1H3;1H
• InChIKey: YNWNSDOQECMYSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclohexyl-N-methylacetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-cyclohexyl-N-methylacetamide hydrochloride
• Synonyms: 2-Amino-N-cyclohexyl-N-methylacetamide hydrochloride

Database IDs

• MDL Number: MFCD13561985
• PubChem SID: 162053481
• PubChem CID: 56831802

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1957223
• LogD (pH = 7.4): -0.5116391
• Log P: 0.2922045
• Molar Refractivity: 48.6332 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 0.856

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%