Methyl 2,3-diaminobenzoate

The CAS register number of Methyl 2,3-diaminobenzoate is 107582-20-7. It also can be called as 2,3-Diaminobenzoic acid methyl ester and the IUPAC name about this chemical is methyl 2,3-diaminobenzoate. The molecular formula about this chemical is C₈H₁₀N₂O₂ and molecular weight is 166.18. It belongs to the following product categories which include Aromatic Esters; Pharmacetical; Chemical Amines; Amines; Aromatics and so on.

Physical properties about Methyl 2,3-diaminobenzoate are: (1)ACD/LogP: 1.25; (2)ACD/LogD (pH 5.5): 1.25; (3)ACD/LogD (pH 7.4): 1.25; (4)ACD/BCF (pH 5.5): 5.27; (5)ACD/BCF (pH 7.4): 5.29; (6)ACD/KOC (pH 5.5): 114.22; (7)ACD/KOC (pH 7.4): 114.61; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 32.78Ų; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 46.49 cm³; (14)Molar Volume: 131.8 cm³; (15)Polarizability: 18.43x10^-24cm³; (16)Surface Tension: 57.8 dyne/cm; (17)Enthalpy of Vaporization: 56.45 kJ/mol; (18)Boiling Point: 322.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000277 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cccc(N)c1N
(2)InChI: InChI=1/C8H10N2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,9-10H2,1H3
(3)InChIKey: BLJHLOLVEXWHFS-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H10N2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,9-10H2,1H3
(5)Std. InChIKey: BLJHLOLVEXWHFS-UHFFFAOYSA-N