-
Name
2-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
- EINECS
- CAS No. 35133-58-5
- Density 1.038g/cm3
- Solubility
- Melting Point
- Formula C22H35NO2
- Boiling Point 480.2°Cat760mmHg
- Molecular Weight 345.525
- Flash Point 244.2°C
- Transport Information
- Appearance
- Safety Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
RC 72-01 Chemical Properties
Molecule structure of RC 72-01 (CAS NO.35133-58-5) :
IUPAC Name: 2-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
Molecular Weight: 345.5188 g/mol
Molecular Formula: C22H35NO2
Density: 1.038 g/cm3
Boiling Point: 480.2 °C at 760 mmHg
Flash Point: 244.2 °C
Index of Refraction: 1.534
Molar Refractivity: 103.55 cm3
Molar Volume: 332.6 cm3
Polarizability: 41.05×10-24 cm3
Surface Tension: 40.5 dyne/cm
Enthalpy of Vaporization: 78.44 kJ/mol
Vapour Pressure: 4.97E-10 mmHg at 25 °C
XLogP3-AA: 5.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Exact Mass: 345.266779
MonoIsotopic Mass: 345.266779
Topological Polar Surface Area: 32.7
Heavy Atom Count: 25
Complexity: 366
Canonical SMILES: CC(C(C1=CC=C(C=C1)OC)O)N2CCC(CC2)CC3CCCCC3
InChI: InChI=1S/C22H35NO2/c1-17(22(24)20-8-10-21(25-2)11-9-20)23-14-12-19(13-15-23)16-18-6-4-3-5-7-18/h8-11,17-19,22,24H,3-7,12-16H2,1-2H3
InChIKey of RC 72-01 (CAS NO.35133-58-5) : PMFSILGONBPGOX-UHFFFAOYSA-N
RC 72-01 Toxicity Data With Reference
| 1. | orl-mus LD50:115 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 21 (1971),1992. | ||
| 2. | ipr-mus LD50:37 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 21 (1971),1992. | ||
| 3. | ivn-mus LD50:8 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 21 (1971),1992. |
RC 72-01 Safety Profile
Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
RC 72-01 Specification
RC 72-01 (CAS NO.35133-58-5) is also called 2-(4-Cyclohexylmethylpiperidino)-1-(4'-methoxyphenyl)-1-propanol ; 4-(Cyclohexylmethyl)-alpha-(4-methoxyphenyl)-beta-methyl-1-piperidineethanol ; 5-20-04-00454 (Beilstein Handbook Reference) ; BRN 1592086 ; 1-Piperidineethanol, 4-(cyclohexylmethyl)-alpha-(4-methoxyphenyl)-beta-methyl- .
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