
structural formula
| business number | 01bx |
|---|---|
| molecular formula | c15h15no2 |
| molecular weight | 241.29 |
| label |
n-(2,3-xylyl)-2-aminobenzoic acid, 2-[(2,3-dimethylphenyl)amino]benzoic acid |
numbering system
cas number:61-68-7
mdl number:mfcd00051721
einecs number:200-513-1
rtecs number:cb4550000
brn number:none
pubchem number:24896815
physical property data
none yet
toxicological data
none yet
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 72.20
2. molar volume (m3/mol):200.5
3. isotonic specific volume (90.2k ): 538.0
4. surface tension (dyne/cm):51.7
5. polarizability(10-24cm3): 28.62
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 3
5. number of tautomers: 4
6. topological molecule polar surface area 49.3
7. number of heavy atoms: 18
8. surface charge: 0
9. complexity: 292
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet

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