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