structural formula
| business number | 01wd |
|---|---|
| molecular formula | c9h11no2 |
| molecular weight | 165.19 |
| label |
methyl 2-(methylamino)benzoate, methyl n-methyl anthranilate, methyl anthranilate, dimethyl anthranilate, (ch3nh)c6h4co2ch3 |
numbering system
cas number:85-91-6
mdl number:mfcd00017183
einecs number:201-642-6
rtecs number:cb3500000
brn number:607217
pubchem number:24901282
physical property data
1. physical property data
1. properties: fluorescent colorless to light yellow liquid. orange-like aroma with floral aroma
2. density (g/ml,25/4℃): unsure
3. relative vapor density (g/ml,air=1): unsure
4. melting point (ºc):18.5～19.5℃
5. boiling point (ºc,normal pressure):256℃
6. boiling point (ºc,5.2kpa):130～131℃(1.6kpa)
7. refractive index: unsure
8. flashpoint (ºc):91℃
9. specific optical rotation (º)：sc0°
10. <span style="font-size: 9pt; font-famil
toxicological data
1, acute toxicity:
rat caliber ld50: 3380mg/kg;
mouse intravenous ld50: 180mg/kg;
2, other multiple dose toxicity:
rat calibertdl0:7380mg/kg/90d-c;
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 47.63
2. molar volume (m3/mol）：146.7
3. isotonic specific volume (90.2k):371.0
4. surface tension (dyne/cm):40.8
5. polarizability（10-24cm3):18.88
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
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 38.3
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 159
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
storage method
none
synthesis method
none
purpose
none
7pt ‘times new roman'”> isotonic specific volume (90.2k ): 371.0
4. surface tension (dyne/cm):40.8
5. polarizability（10-24cm3):18.88
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
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 38.3
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 159
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
storage method
none
synthesis method
none
purpose
none
