2-Aminoisophthalic acid supplier

Name
2-AMINOISOPHTHALIC ACID
EINECS
CAS No. 397245-00-0
Density 1.551 g/cm³
Solubility
Melting Point >350 °C
Formula C₈H₇NO₄
Boiling Point 429.717 °C at 760 mmHg
Molecular Weight 181.15
Flash Point 213.685 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms [1-(2,6-Dimethoxybenzyl)piperidin-4-yl]methylamine;2-Aminoisophthalic acid;
PSA 33.73000
LogP 2.21640

2-Aminoisophthalic acid Specification

The CAS register number of 2-Aminoisophthalic acid is 397245-00-0. It also can be called as 4-Piperidinamine,1-[(2,6-dimethoxyphenyl)methyl]-N-methyl- and the systematic name about this chemical is 2-aminobenzene-1,3-dicarboxylic acid. The molecular formula about this chemical is C₈H₇NO₄ and the molecular weight is 181.15.

Physical properties about 2-Aminoisophthalic acid are: (1)ACD/LogP: 1.32; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 100.62Å²; (10)Index of Refraction: 1.684; (11)Molar Refractivity: 44.349 cm³; (12)Molar Volume: 116.773 cm³; (13)Polarizability: 17.581x10^-24cm³; (14)Surface Tension: 87.714 dyne/cm; (15)Flash Point: 213.685 °C; (16)Enthalpy of Vaporization: 72.214 kJ/mol; (17)Boiling Point: 429.717 °C at 760 mmHg .

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(c(c1)C(=O)O)N)C(=O)O
(2)InChI: InChI=1/C8H7NO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
(3)InChIKey: LDOMKUVUXZRECL-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H7NO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
(5)Std. InChIKey: LDOMKUVUXZRECL-UHFFFAOYSA-N

Product Name

2-AMINOISOPHTHALIC ACID

2-Aminoisophthalic acid Specification

Related Products

Hot Products