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99-21-8

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Basic Information
CAS No.: 99-21-8
Name: N-(4-AMINO-5-METHOXY-2-METHYLPHENYL)BENZAMIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 99-21-8 (N-(4-AMINO-5-METHOXY-2-METHYLPHENYL)BENZAMIDE)
Formula: C15H16N2O2
Molecular Weight: 256.304
Synonyms: m-Benzanisidide,4'-amino-6'-methyl- (6CI,7CI,8CI);3-Amino-6-benzoylamido-4-methoxy-1-methylbenzol;4-Amino-1-benzoylamino-3-methoxy-6-methylbenzene;4'-Amino-6'-methyl-m-benzanisidide;N-(4-Amino-5-methoxy-2-methylphenyl)benzamide;3'-Methoxy-4'-amino-6'-methylbenzanilide;Azoic Diazo No.41;benzamide, N-(4-amino-5-methoxy-2-methylphenyl)-;Fast Violet B;N-(4-amino-5-methoxy-2-methylphenyl)benzamide;
EINECS: 202-740-1
Density: 1.215 g/cm3
Melting Point: 185-188°C
Boiling Point: 344.3 °C at 760 mmHg
Flash Point: 162 °C
Hazard Symbols: IrritantXi
Safety: 24/25
PSA: 64.35000
LogP: 3.49230
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Specification

The Benzamide,N-(4-amino-5-methoxy-2-methylphenyl)-, with the CAS registry number 99-21-8 and EINECS registry number 202-740-1, has the systematic name and IUPAC name of N-(4-amino-5-methoxy-2-methylphenyl)benzamide. It belongs to the product categories of Dyes and Pigments. And the molecular formula of the chemical is C15H16N2O2. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of Benzamide,N-(4-amino-5-methoxy-2-methylphenyl)- are as followings: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 9.4; (6)ACD/BCF (pH 7.4): 13.62; (7)ACD/KOC (pH 5.5): 155.43; (8)ACD/KOC (pH 7.4): 225.28; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 76.56 cm3; (15)Molar Volume: 210.8 cm3; (16)Polarizability: 30.35×10-24cm3; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.215 g/cm3; (19)Flash Point: 162 °C; (20)Enthalpy of Vaporization: 58.82 kJ/mol; (21)Boiling Point: 344.3 °C at 760 mmHg; (22)Vapour Pressure: 6.65E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccccc1)Nc2cc(OC)c(N)cc2C
(2)InChI: InChI=1/C15H16N2O2/c1-10-8-12(16)14(19-2)9-13(10)17-15(18)11-6-4-3-5-7-11/h3-9H,16H2,1-2H3,(H,17,18)
(3)InChIKey: VENDXQNWODZJGB-UHFFFAOYAO