Structural formula
| Business number | 016Z |
|---|---|
| Molecular formula | C15H17N3 |
| Molecular weight | 239.32 |
| label |
3′-MDAB |
Numbering system
CAS number:55-80-1
MDL number:None
EINECS number:200-243-4
RTECS number:BX8250000
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 76.08
2. Molar volume (m3/mol??234.6
3. isotonic specific volume (90.2K):574.6
4. Surface Tension (dyne/cm):36.0
5. Polarizability?10-24cm3):30.16
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 28
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 267
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
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