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CAS No.: | 50891-33-3 |
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Name: | 5-AMINO-2-PIPERIDIN-1-YL-BENZAMIDE |
Molecular Structure: | |
Formula: | C12H17N3O |
Molecular Weight: | 219.286 |
Synonyms: | BAS 03240605;5-Amino-2-piperidin-1-yl-benzamide; |
Density: | 1.2 g/cm3 |
Boiling Point: | 417.9 °C at 760 mmHg |
Flash Point: | 206.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 72.35000 |
LogP: | 2.70450 |
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The CAS register number of Benzamide,5-amino-2-(1-piperidinyl)- is 50891-33-3. It also can be called as BAS 03240605 and the IUPAC name about this chemical is 5-amino-2-piperidin-1-ylbenzamide. The molecular formula about this chemical is C12H17N3O and the molecular weight is 219.28. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzamide,5-amino-2-(1-piperidinyl)- are: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 3.23; (5)ACD/KOC (pH 5.5): 5.05; (6)ACD/KOC (pH 7.4): 75.84; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.79 Å2; (11)Index of Refraction: 1.62; (12)Molar Refractivity: 64.23 cm3; (13)Molar Volume: 182.6 cm3; (14)Polarizability: 25.46x10-24cm3; (15)Surface Tension: 56.9 dyne/cm; (16)Density: 1.2 g/cm3; (17)Flash Point: 206.5 °C; (18)Enthalpy of Vaporization: 67.14 kJ/mol; (19)Boiling Point: 417.9 °C at 760 mmHg; (20)Vapour Pressure: 3.42E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(N)ccc1N2CCCCC2)N
(2)InChI: InChI=1/C12H17N3O/c13-9-4-5-11(10(8-9)12(14)16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,13H2,(H2,14,16)
(3)InChIKey: LUAYPIWXMDEQHJ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H17N3O/c13-9-4-5-11(10(8-9)12(14)16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,13H2,(H2,14,16)
(5)Std. InChIKey: LUAYPIWXMDEQHJ-UHFFFAOYSA-N