Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Amino-1-benzyl-4-piperidinecarboxylic acid |
EINECS | N/A |
CAS No. | 39143-25-4 | Density | 1.207 g/cm3 |
PSA | 66.56000 | LogP | 1.70270 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H18N2O2 | Boiling Point | 385.7 °C at 760 mmHg |
Molecular Weight | 234.298 | Flash Point | 187 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Amino-1-benzyl-4-carboxypiperidine;4-Amino-1-benzyl-4-piperidinecarboxylic acid; |
Article Data | 8 |
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