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| CAS No.: | 1934-71-0 |
|---|---|
| Name: | 1-PHENYLCYCLOHEXYLAMINE HYDROCHLORIDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C12H18ClN |
| Molecular Weight: | 211.735 |
| Synonyms: | Cyclohexanamine,1-phenyl-, hydrochloride (9CI);Cyclohexylamine, 1-phenyl-, hydrochloride(7CI,8CI);1-Amino-1-phenylcyclohexane hydrochloride;1-Phenylcyclohexylaminehydrochloride;CI 401;IEM 1921; |
| EINECS: | 604-604-1 |
| Density: | 0.992 g/cm3 |
| Melting Point: | 247-248 °C |
| Boiling Point: | 273.1°C at 760 mmHg |
| Flash Point: | 121.6 °C |
| PSA: | 26.02000 |
| LogP: | 4.30700 |
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- Total:28 Page 1 of 1 1
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Specification
The Cyclohexanamine,1-phenyl-, hydrochloride (1:1), with the CAS registry number 1934-71-0, is also known as 1-Phenylcyclohexanamine hydrochloride (1:1). This chemical's molecular formula is C12H18ClN and molecular weight is 211.73. What's more, its IUPAC name is 1-Phenylcyclohexan-1-amine hydrochloride.
Physical properties about Cyclohexanamine,1-phenyl-, hydrochloride (1:1): (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24 Å2; (7)Flash Point: 121.6 °C; (8)Enthalpy of Vaporization: 51.14 kJ/mol; (9)Boiling Point: 273.1 °C at 760 mmHg; (10)Vapour Pressure: 0.00586 mmHg at 25 °C; (11)Density: 0.992 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.c1c(cccc1)C2(N)CCCCC2
(2) InChI: InChI=1/C12H17N.ClH/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;/h1,3-4,7-8H,2,5-6,9-10,13H2;1H
(3) InChIKey: AFQRMCRVQVUGMF-UHFFFAOYAN
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 86mg/kg (86mg/kg) | Farmaco, Edizione Scientifica. Vol. 24, Pg. 140, 1969. Link to PubMed |