Benzamide, 2-amino-N-propyl- supplier

Name
2-AMINO-N-PROPYL-BENZAMIDE
EINECS
CAS No. 56814-10-9
Article Data31
CAS DataBase
Density 1.079g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄N₂O
Boiling Point 363.7 °C at 760 mmHg
Molecular Weight 178.234
Flash Point 173.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Amino-N-propylbenzamide;N-Propyl-2-aminobenzamide;
PSA 55.12000
LogP 2.38070

Benzamide, 2-amino-N-propyl- Specification

The Benzamide, 2-amino-N-propyl-, with CAS registry number 56814-10-9, has the systematic name of 2-amino-N-propylbenzamide. Besides this, it is also called (2-aminophenyl)-N-propylcarboxamide. And the chemical formula of this chemical is C₁₀H₁₄N₂O.

Physical properties of Benzamide, 2-amino-N-propyl-: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.15; (6)ACD/BCF (pH 7.4): 11.15; (7)ACD/KOC (pH 5.5): 195.54; (8)ACD/KOC (pH 7.4): 195.56; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 53.37 cm³; (15)Molar Volume: 165 cm³; (16)Polarizability: 21.16×10^-24cm³; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.079 g/cm³; (19)Flash Point: 173.8 °C; (20)Enthalpy of Vaporization: 60.98 kJ/mol; (21)Boiling Point: 363.7 °C at 760 mmHg; (22)Vapour Pressure: 1.77E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1N)NCCC
(2)InChI: InChI=1/C10H14N2O/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h3-6H,2,7,11H2,1H3,(H,12,13)
(3)InChIKey: XFIFLMUVUBNJEY-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H14N2O/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h3-6H,2,7,11H2,1H3,(H,12,13)
(5)Std. InChIKey: XFIFLMUVUBNJEY-UHFFFAOYSA-N

Product Name

2-AMINO-N-PROPYL-BENZAMIDE

Benzamide, 2-amino-N-propyl- Specification

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