Benzenamine,3-(1-piperidinylmethyl)- supplier

Name
3-(PIPERIDIN-1-YLMETHYL)ANILINE
EINECS
CAS No. 93138-55-7
Article Data5
CAS DataBase
Density 1.068 g/cm³
Solubility
Melting Point 106 °C
Formula C₁₂H₁₈N₂
Boiling Point 312.3 °C at 760 mmHg
Molecular Weight 190.288
Flash Point 128 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Piperidine,1-(m-aminobenzyl)- (7CI);1-(3-Aminobenzyl)piperidine;3-(Piperidin-1-ylmethyl)aniline;3-(Piperidinomethyl)aniline;[3-(Piperidin-1-ylmethyl)phenyl]amine;3-(piperidin-1-ylmethyl)aniline;
PSA 29.26000
LogP 2.77380

Benzenamine,3-(1-piperidinylmethyl)- Specification

The Benzenamine,3-(1-piperidinylmethyl)-, with the CAS registry number 93138-55-7, has the systematic name of 3-(piperidin-1-ylmethyl)aniline. It belongs to the following product categories: Amines and Anilines; API intermediates. And the molecular formula of the chemical is C₁₂H₁₈N₂.

The characteristics of Benzenamine,3-(1-piperidinylmethyl)- are as followings: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.51; (4)ACD/LogD (pH 7.4): -0.17; (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): 3.43; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 60.02 cm³; (15)Molar Volume: 178 cm³; (16)Polarizability: 23.79×10^-24cm³; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.068 g/cm³; (19)Flash Point: 128 °C; (20)Enthalpy of Vaporization: 55.33 kJ/mol; (21)Boiling Point: 312.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000533 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(cccc1N)CN2CCCCC2
(2)InChI: InChI=1/C12H18N2/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2
(3)InChIKey: SEJNYLBEEMVJNN-UHFFFAOYAZ

Product Name

3-(PIPERIDIN-1-YLMETHYL)ANILINE

Benzenamine,3-(1-piperidinylmethyl)- Specification

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