Basic Information | Post buying leads | Suppliers |
Name |
Benzoic acid; 3-phenylbutan-2-amine |
EINECS | N/A |
CAS No. | 6306-72-5 | Density | N/A |
PSA | 63.32000 | LogP | 4.22240 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H21NO2 | Boiling Point | 216.5 °C at 760 mmHg |
Molecular Weight | 271.35 | Flash Point | 90.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Phenylbutan-2-amine benzoate (1:1); |
The Benzoic acid; 3-phenylbutan-2-amine has the CAS registry number 6306-72-5. This chemical's molecular formula is C17H21NO2 and molecular weight is 271.35. What's more, its systematic name is 3-Phenylbutan-2-amine benzoate (1:1).
Physical properties of Benzoic acid; 3-phenylbutan-2-amine are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 3.24 Å2; (7)Flash Point: 90.6 °C; (8)Enthalpy of Vaporization: 45.29 kJ/mol; (9)Boiling Point: 216.5 °C at 760 mmHg; (10)Vapour Pressure: 0.139 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1.NC(C(c1ccccc1)C)C
(2)InChI: InChI=1/C10H15N.C7H6O2/c1-8(9(2)11)10-6-4-3-5-7-10;8-7(9)6-4-2-1-3-5-6/h3-9H,11H2,1-2H3;1-5H,(H,8,9)
(3)InChIKey: WGLHGQOWMGPQIX-UHFFFAOYSA-N