Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 2-amino-3,5-dimethylbenzoate |
EINECS | N/A |
CAS No. | 206551-23-7 | Density | 1.105 g/cm3 |
PSA | 52.32000 | LogP | 2.25340 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H13NO2 | Boiling Point | 291.63 °C at 760 mmHg |
Molecular Weight | 179.22 | Flash Point | 148.734 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzoic acid, 2-amino-3,5-dimethyl-, methyl ester;2-Amino-3,5-dimethyl-benzoic acid methyl ester; |
Article Data | 3 |
The systematic name of Methyl 2-amino-3,5-dimethylbenzoate is methyl 2-amino-3,5-dimethylbenzoate. With the CAS registry number 206551-23-7, it is also named as 2-Amino-3,5-dimethyl-benzoic acid methyl ester. In addition, its molecular formula is C10H13NO2 and molecular weight is 179.22.
The other characteristics of Methyl 2-amino-3,5-dimethylbenzoate can be summarized as: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 104; (6)ACD/BCF (pH 7.4): 104; (7)ACD/KOC (pH 5.5): 969; (8)ACD/KOC (pH 7.4): 970; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 51.912 cm3; (15)Molar Volume: 162.157 cm3; (16)Polarizability: 20.58×10-24cm3; (17)Surface Tension: 42.179 dyne/cm; (18)Density: 1.105 g/cm3; (19)Flash Point: 148.734 °C; (20)Enthalpy of Vaporization: 53.108 kJ/mol; (21)Boiling Point: 291.63 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1cc(C(=O)OC)c(N)c(C)c1
(2)InChI: InChI=1/C10H13NO2/c1-6-4-7(2)9(11)8(5-6)10(12)13-3/h4-5H,11H2,1-3H3
(3)InChIKey: XRCRCNXSQYQLAQ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H13NO2/c1-6-4-7(2)9(11)8(5-6)10(12)13-3/h4-5H,11H2,1-3H3
(5)Std. InChIKey: XRCRCNXSQYQLAQ-UHFFFAOYSA-N