Benzenemethanamine, 3-(1-piperidinyl)- supplier

Name
(3-PIPERIDINOPHENYL)METHYLAMINE
EINECS
CAS No. 175696-71-6
Article Data4
CAS DataBase
Density 1.047 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₈N₂
Boiling Point 343.8 °C at 760 mmHg
Molecular Weight 190.288
Flash Point 142.3 °C
Transport Information
Appearance
Safety 26-39
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols C
Synonyms [3-(Piperidin-1-yl)benzyl]amine;
PSA 29.26000
LogP 2.90090

Benzenemethanamine, 3-(1-piperidinyl)- Specification

This chemical is called Benzenemethanamine, 3-(1-piperidinyl)-, and its systematic name is 1-(3-piperidin-1-ylphenyl)methanamine. With the molecular formula of C₁₂H₁₈N₂, its molecular weight is 190.28. The CAS registry number of this chemical is 175696-71-6.

Other characteristics of the Benzenemethanamine, 3-(1-piperidinyl)- can be summarised as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.25; (4)ACD/LogD (pH 7.4): -0.56; (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: 6.48 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 59.52 cm³; (15)Molar Volume: 181.6 cm³; (16)Polarizability: 23.59×10^-24cm³; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.047 g/cm³; (19)Flash Point: 142.3 °C; (20)Enthalpy of Vaporization: 58.77 kJ/mol; (21)Boiling Point: 343.8 °C at 760 mmHg; (22)Vapour Pressure: 6.88E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1cc(cc(c1)CN)N2CCCCC2
2.InChI: InChI=1/C12H18N2/c13-10-11-5-4-6-12(9-11)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2
3.InChIKey: BISSHLVDQOLHNQ-UHFFFAOYAV

Product Name

(3-PIPERIDINOPHENYL)METHYLAMINE

Benzenemethanamine, 3-(1-piperidinyl)- Specification

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