2-(Hydroxymethyl)-4-phenylcyclohexan-1-aminium

Base Information

• Chemical Name: 2-(Hydroxymethyl)-4-phenylcyclohexan-1-aminium
• CAS No.: 195190-88-6
• Molecular Formula: C13H20NO+
• Molecular Weight: 206.3035
• Hs Code.: 2922190090
• DSSTox Substance ID: DTXSID70941279
• Wikidata: Q82918064
• Mol file: 195190-88-6.mol

Synonyms:DTXSID70941279;2-(Hydroxymethyl)-4-phenylcyclohexan-1-aminium

Chemical Property of 2-(Hydroxymethyl)-4-phenylcyclohexan-1-aminium

Chemical Property:

• Vapor Pressure: 2.5E-05mmHg at 25°C
• Melting Point: 116-122 °C
• Refractive Index: 1.5220 (estimate)
• Boiling Point: 344.5°Cat760mmHg
• PKA: 15.05±0.10(Predicted)
• Flash Point: 162.2°C
• PSA: 46.25000
• Density: g/cm³
• LogP: 2.59020
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 206.154489261
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

2-CIS-HYDROXYMETHYL-4-TRANS-PHENYL-1-CYCLOHEXYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(CC1C2=CC=CC=C2)CO)[NH3+]
• Isomeric SMILES: C1C[C@@H]([C@@H](C[C@H]1C2=CC=CC=C2)CO)[NH3+]