4,4′-bisdimethylaminobenzyl alcohol
structural formula
| business number | 03b2 |
|---|---|
| molecular formula | c17h22n2o |
| molecular weight | 270.37 |
| label |
4,4′-bis(dimethylamino)benzhydrol, bdc-oh, [(ch3)2nc6h4]2choh, heterocyclic compounds |
numbering system
cas number:119-58-4
mdl number:mfcd00008313
einecs number:204-335-5
rtecs number:dc7525000
brn number:2131843
pubchem number:24888467
physical property data
none yet
toxicological data
none yet
ecological data
none yet
molecular structure data
5. molecular property data:
1, moore refractive index: 85.73
2, molar volume (m 3/mol）：243.0
3、 isotonic specific volume (90.2k) ：637.7
4, surface tension (dyne/cm):47.3
5、 polarizability (10-24cm3):33.98
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3
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 26.7
7. number of heavy atoms: 20
8. surface charge: 0
9. complexity: 249
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
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compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3
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 26.7
7. number of heavy atoms: 20
8. surface charge: 0
9. complexity: 249
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
