4-ethylcyclohexan-1-amine

• ChemBase ID: 26222
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: NC1CCC(CC1)CC
• Canonical SMILES: CCC1CCC(CC1)N
• InChI: InChI=1S/C8H17N/c1-2-7-3-5-8(9)6-4-7/h7-8H,2-6,9H2,1H3
• InChIKey: IKQCKANHUYSABG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylcyclohexan-1-amine
• IUPAC Traditional name: 4-ethylcyclohexan-1-amine
• Synonyms: (4-ethylcyclohexyl)amine; 4-Ethylcyclohexanamine; 1-Amino-4-ethylcyclohexane; 4-Ethylcyclohexylamine 95%; 4-ethylcyclohexan-1-amine

Database IDs

• CAS Number: 42195-97-1; 23775-39-5
• MDL Number: MFCD04969087
• PubChem SID: 160989529
• PubChem CID: 420819

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1225456
• LogD (pH = 7.4): -0.8375009
• Log P: 1.9053994
• Molar Refractivity: 40.0826 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 75-80°C
• Hydrophobicity(logP): 2.415

Safety Information

• Storage Warning: Corrosive/Flammable/Toxic/Store under inert gas; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%