2-phenylbutanamide
Structural formula
| Business number | 0225 |
|---|---|
| Molecular formula | C10H13NO |
| Molecular weight | 163.22 |
| label |
None yet |
Numbering system
CAS number:90-26-6
MDL number:MFCD00025511
EINECS number:201-980-4
RTECS number:ES4955000
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index 48.63
2. Molar volume (cm3/mol): 156.8
3. Isotonic specific volume (90.2K) : 396.2
4. Surface tension (dyne/cm): 40.7
5. Polarizability (10-24cm3): 19.28
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.7
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 3
6. Topological molecule polar surface area 43.1
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 150
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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