Benzoic acid; 3-phenylbutan-2-amine supplier

Name
benzoic acid, 3-phenylbutan-2-amine
EINECS
CAS No. 6306-72-5
Density
Solubility
Melting Point
Formula C₁₇H₂₁NO₂
Boiling Point 216.5 °C at 760 mmHg
Molecular Weight 271.35
Flash Point 90.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Phenylbutan-2-amine benzoate (1:1);
PSA 63.32000
LogP 4.22240

Benzoic acid; 3-phenylbutan-2-amine Specification

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

Product Name

benzoic acid, 3-phenylbutan-2-amine

Benzoic acid; 3-phenylbutan-2-amine Specification

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