Structural formula
Business number | 024B |
---|---|
Molecular formula | C12H18N2O3 |
Molecular weight | 238.28 |
label |
None yet |
Numbering system
CAS number:92-02-4
MDL number:None
EINECS number:202-117-4
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
None yet
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 67.17
2. Molar volume (cm3/mol): 188.5
3. Isotonic specific volume (90.2K ): 526.0
4. Surface tension (dyne/cm): 60.6
5. Polarizability (10-24cm3): 26.62
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): -0.1
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 4
p>
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: 2
6. Topological molecular polar surface area (TPSA): 72.8
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 230
10. Isotopic atoms Quantity: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the chemical bond positions Number of 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