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CAS No.: | 19406-86-1 |
---|---|
Name: | 3-Amino-4-methylbenzamide |
Molecular Structure: | |
Formula: | C8H10N2O |
Molecular Weight: | 150.18 |
Synonyms: | p-Toluamide,3-amino- (8CI);benzamide, 3-amino-4-methyl-;3-amino-p-toluamide; |
EINECS: | 243-039-0 |
Density: | 1.185 g/cm3 |
Melting Point: | 127-131 °C(lit.) |
Boiling Point: | 303.981 °C at 760 mmHg |
Flash Point: | 137.643 °C |
Appearance: | light brown crystalline chunks |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 36/37 |
PSA: | 69.11000 |
LogP: | 1.95760 |
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The Benzamide,3-amino-4-methyl-, with the CAS registry number 19406-86-1 and EINECS registry number 243-039-0, has the systematic name and IUPAC name of 3-amino-4-methylbenzamide. It is a kind of light brown crystalline chunks, and belongs to the following product categories: Intermediates of Dyes and Pigments; Amide; Amineprimary; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C8H10N2O.
The characteristics of Benzamide,3-amino-4-methyl- are as followings: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 2.33; (6)ACD/BCF (pH 7.4): 2.35; (7)ACD/KOC (pH 5.5): 63.76; (8)ACD/KOC (pH 7.4): 64.09; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 44.24 cm3; (15)Molar Volume: 126.6 cm3; (16)Polarizability: 17.53×10-24cm3; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.185 g/cm3; (19)Flash Point: 137.6 °C; (20)Enthalpy of Vaporization: 54.43 kJ/mol; (21)Boiling Point: 304 °C at 760 mmHg; (22)Vapour Pressure: 0.0009 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1cc(N)c(cc1)C)N
(2)InChI: InChI=1/C8H10N2O/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H2,10,11)
(3)InChIKey: VYBKAZXQKUFAHG-UHFFFAOYAF