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CAS No.: | 93138-55-7 |
---|---|
Name: | 3-(PIPERIDIN-1-YLMETHYL)ANILINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C12H18N2 |
Molecular Weight: | 190.288 |
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; |
Density: | 1.068 g/cm3 |
Melting Point: | 106 °C |
Boiling Point: | 312.3 °C at 760 mmHg |
Flash Point: | 128 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 29.26000 |
LogP: | 2.77380 |
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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