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| CAS No.: | 51135-96-7 |
|---|---|
| Name: | 4-BENZYL-4-HYDROXYPIPERIDINE |
| Molecular Structure: | |
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|
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| Formula: | C12H17NO |
| Molecular Weight: | 191.273 |
| Synonyms: | 4-(Phenylmethyl)-4-piperidinol;4-Benzyl-4-hydroxypiperidine;4-Benzyl-4-piperidinol;4-Hydroxy-4-benzylpiperidine;4-Hydroxy-4-phenylmethylpiperidine;NSC 83237; |
| EINECS: | 257-003-7 |
| Density: | 1.085g/cm3 |
| Melting Point: | 80-85 °C |
| Boiling Point: | 329 °C at 760 mmHg |
| Flash Point: | 128.4 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | yellow to brownish crystalline powder |
| Hazard Symbols: |
 Xi Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26 |
| PSA: | 32.26000 |
| LogP: | 1.67240 |
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Specification
The 4-Benzyl-4-hydroxypiperidine, with cas registry number 51135-96-7, has the systematic name of 4-benzylpiperidin-4-ol. Besides this, it is also called 4-piperidinol, 4-(phenylmethyl)-. And this chemical is a kind of yellow to brownish crystalline powder. What's more, its EINECS is 257-003-7.
Physical properties about this chemical are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.42; (4)ACD/LogD (pH 7.4): -1.14; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 57.06 cm3; (15)Molar Volume: 176.2 cm3; (16)Polarizability: 22.62×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Enthalpy of Vaporization: 60.32 kJ/mol; (19)Vapour Pressure: 7.37E-05 mmHg at 25°C.
Uses of 4-Benzyl-4-hydroxypiperidine: it can be used to produce 4-benzyl-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester. This reaction will need solvent CH2Cl2. The reaction time is 4 hour(s). The yield is about 87%.
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When you are using this chemical, please be cautious about it as the following:
The 4-Benzyl-4-hydroxypiperidine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: OC2(Cc1ccccc1)CCNCC2
(2)InChI: InChI=1/C12H17NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
(3)InChIKey: KJZBZOFESQSBCV-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H17NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
(5)Std. InChIKey: KJZBZOFESQSBCV-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12239, |