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CAS No.: | 39143-25-4 |
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Name: | 4-AMINO-1-BENZYL-PIPERIDINE-4-CARBOXYLIC ACID |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C13H18N2O2 |
Molecular Weight: | 234.298 |
Synonyms: | 4-Amino-1-benzyl-4-carboxypiperidine;4-Amino-1-benzyl-4-piperidinecarboxylic acid; |
Density: | 1.207 g/cm3 |
Boiling Point: | 385.7 °C at 760 mmHg |
Flash Point: | 187 °C |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 66.56000 |
LogP: | 1.70270 |
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This chemical is called 4-Amino-1-benzyl-4-piperidinecarboxylic acid, and it can also be named as 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-. With the molecular formula of C13H18N2O2, its molecular weight is 234.29. The CAS registry number of this chemical is 39143-25-4, and its product categories are Pharmacetical; Carboxylic Acids; Pyrans, Piperidines & Piperazines; Carboxylic Acids; Pyrans, Piperidines & Piperazines.
Other characteristics of the 4-Amino-1-benzyl-4-piperidinecarboxylic acid can be summarised as followings: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 32.78 Å2; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 65.35 cm3; (13)Molar Volume: 194 cm3; (14)Polarizability: 25.9×10-24cm3; (15)Surface Tension: 55.2 dyne/cm; (16)Density: 1.207 g/cm3; (17)Flash Point: 187 °C; (18)Enthalpy of Vaporization: 66.93 kJ/mol; (19)Boiling Point: 385.7 °C at 760 mmHg; (20)Vapour Pressure: 1.23E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C2(N)CCN(Cc1ccccc1)CC2
2.InChI: InChI=1/C13H18N2O2/c14-13(12(16)17)6-8-15(9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10,14H2,(H,16,17)
3.InChIKey: UAPJXCZSNCQLMR-UHFFFAOYAY