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| CAS No.: | 6589-48-6 |
|---|---|
| Name: | 2-CYCLOHEXYLAMINO-1-PHENYLETHANOL |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C14H21NO |
| Molecular Weight: | 219.327 |
| Synonyms: | 2-Cyclohexylamino-1-phenylethanol;NSC 62916;dl-1-Phenyl-2-cyclohexylaminoethanol;Benzylalcohol,α-[(cyclohexylamino)methyl]-; |
| EINECS: | 229-523-4 |
| Density: | 1.04 g/cm3 |
| Melting Point: | 89 °C |
| Boiling Point: | 343.4 °C at 760 mmHg |
| Flash Point: | 105.7 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | R36/37/38 |
| PSA: | 32.26000 |
| LogP: | 3.03320 |
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- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- Total:12 Page 1 of 1 1
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Specification
The Benzenemethanol, α-[(cyclohexylamino)methyl]-, with the CAS registry number 6589-48-6, is also known as Benzylalcohol, a-[(cyclohexylamino)methyl]-. Its EINECS registry number is 229-523-4. This chemical's molecular formula is C14H21NO and molecular weight is 219.32. What's more, its IUPAC name is 2-(Cyclohexylamino)-1-phenylethanol.
Physical properties about Benzenemethanol, α-[(cyclohexylamino)methyl]- are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.71; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 66.89 cm3; (15)Molar Volume: 209.1 cm3; (16)Polarizability: 26.51×10-24 cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 105.7 °C; (20)Enthalpy of Vaporization: 61.98 kJ/mol; (21)Boiling Point: 343.4 °C at 760 mmHg; (22)Vapour Pressure: 2.7E-05 mmHg at 25 °C.
Preparation of Benzenemethanol, α-[(cyclohexylamino)methyl]-: this chemical is prepared by reaction of C14H17NO at ambient temperature. The reaction needs reagent NaBH4 and solvent Methanol. The reaction time is 30 minutes and the yield is about 68 %.
![Benzenemethanol,a-[(cyclohexylamino)methyl]- can be obtained by C14H17NO](/UserFilesUpload/Preparation of Benzenemethanol,a-[(cyclohexylamino)methyl]-.jpeg)
Uses of Benzenemethanol, α-[(cyclohexylamino)methyl]-: it is used to produce other chemicals. For example, it is used to produce 1-Cyclohexyl-2-phenyl-aziridine at ambient temperature. The reaction needs reagent P2I4 and solvent Benzene. The reaction time is 20 hours and the yield is about 58 %.
![Benzenemethanol,a-[(cyclohexylamino)methyl]- can be used to produce 1-Cyclohexyl-2-phenyl-aziridine](/UserFilesUpload/Uses of Benzenemethanol,a-[(cyclohexylamino)methyl]-.jpeg)
You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccccc1)CNC2CCCCC2
(2) InChI: InChI=1/C14H21NO/c16-14(12-7-3-1-4-8-12)11-15-13-9-5-2-6-10-13/h1,3-4,7-8,13-16H,2,5-6,9-11H2
(3) InChIKey: ISYFTHDLBGNHQW-UHFFFAOYAJ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 30mg/kg (30mg/kg) | Journal of Medicinal Chemistry. Vol. 15, Pg. 445, 1972. |