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CAS No.: | 30510-67-9 |
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Name: | 2-AMINO-N-CYCLOPROPYLBENZAMIDE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C10H12N2O |
Molecular Weight: | 176.218 |
Synonyms: | Benzamide,o-amino-N-cyclopropyl- (8CI);2-Amino-N-cyclopropylbenzamide;Benzamide, 2-amino-N-cyclopropyl-; |
Density: | 1.2 g/cm3 |
Boiling Point: | 389.5 °C at 760 mmHg |
Flash Point: | 189.4 °C |
PSA: | 55.12000 |
LogP: | 2.13310 |
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The Benzamide,2-amino-N-cyclopropyl-, with the CAS registry number 30510-67-9, has the systematic name and IUPAC name of 2-amino-N-cyclopropylbenzamide. And the molecular formula of the chemical is C10H12N2O.
The characteristics of Benzamide,2-amino-N-cyclopropyl- are as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.3; (6)ACD/BCF (pH 7.4): 3.3; (7)ACD/KOC (pH 5.5): 81.78; (8)ACD/KOC (pH 7.4): 81.79; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 50.59 cm3; (15)Molar Volume: 145.9 cm3; (16)Polarizability: 20.05×10-24cm3; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 189.4 °C; (20)Enthalpy of Vaporization: 63.88 kJ/mol; (21)Boiling Point: 389.5 °C at 760 mmHg; (22)Vapour Pressure: 2.84E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1c(cccc1)N)NC2CC2
(2)InChI: InChI=1/C10H12N2O/c11-9-4-2-1-3-8(9)10(13)12-7-5-6-7/h1-4,7H,5-6,11H2,(H,12,13)
(3)InChIKey: YGCVNEQVUUMKJL-UHFFFAOYAA