Structural formula
| Business number | 0289 |
|---|---|
| Molecular formula | C10H15NO2 |
| Molecular weight | 181.24 |
| label |
(C2H5O)2C6H3NH2 |
Numbering system
CAS number:94-85-9
MDL number:MFCD00015144
EINECS number:202-369-5
RTECS number:None
BRN number:880466
PubChem number:24874398
Physical property data
1. Characteristics: Undetermined
2. Density (g/mL, 20℃): 1.034
3. Relative vapor density (g/mL, air=1) : Undetermined
4. Melting point (ºC): 85-88
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point ( ºC, 30mmHg): 190-192
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation Degree (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC) : Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 53.11
2. Molar volume (cm3/mol): 172.7
3. Isotonic specific volume (90.2K ): 426.0
4. Surface tension (dyne/cm): 37.0
5. Polarizability (10-24cm3): 21.05
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: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 44.5
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 141
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
used forOrganic Synthesis.
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