(1-Benzyl-3-piperidinyl)methanol supplier

Name
1-BENZYL-3-HYDROXYMETHYLPIPERIDINE
EINECS
CAS No. 85387-44-6
Article Data5
CAS DataBase
Density 1.056 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₉NO
Boiling Point 294.068 °C at 760 mmHg
Molecular Weight 205.3
Flash Point 123.378 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Piperidinemethanol,1-benzyl- (6CI);1-Benzyl-3-hydroxymethylpiperidine;1-Benzyl-3-piperidinemethanol;
PSA 23.47000
LogP 1.82880

(1-Benzyl-3-piperidinyl)methanol Specification

The cas register number of (1-Benzyl-3-piperidinyl)methanol is 85387-44-6. It also can be called as 3-piperidinemethanol, 1-(phenylmethyl)- and the Systematic name about this chemical is (1-benzylpiperidin-3-yl)methanol.

Physical properties about (1-Benzyl-3-piperidinyl)methanol are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (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): 10; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.47Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 62.02 cm³; (15)Molar Volume: 194.389 cm³; (16)Surface Tension: 42.358 dyne/cm; (17)Density: 1.056 g/cm³; (18)Flash Point: 123.378 °C; (19)Enthalpy of Vaporization: 56.36 kJ/mol; (20)Boiling Point: 294.068 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: OCC2CCCN(Cc1ccccc1)C2
2.InChI: InChI=1/C13H19NO/c15-11-13-7-4-8-14(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2
3.InChIKey: GEXYNZFTVPXBBB-UHFFFAOYAM
4.Std. InChI: InChI=1S/C13H19NO/c15-11-13-7-4-8-14(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2.

Product Name

1-BENZYL-3-HYDROXYMETHYLPIPERIDINE

(1-Benzyl-3-piperidinyl)methanol Specification

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