2-phenyldiethanolamine n-phenylethanolamine
structural formula
| business number | 03fv |
|---|---|
| molecular formula | c8h11no |
| molecular weight | 137.18 |
| label |
n-phenylethanolamine, 2-phenylaminoethanol, n-hydroxyethylaniline, 2-aniline ethanol, 2-(phenylamino)ethanol, 2-anilinoethanol, n-phenylethanolamine, c6h5nhch2ch2oh, heterocyclic compounds |
numbering system
cas number:122-98-5
mdl number:mfcd00002832
einecs number:204-588-1
rtecs number:kj7175000
brn number:774672
pubchem number:24849642
physical property data
none yet
toxicological data
1, skin/eye irritation: rabbit skinirritation experiment: 545mg slightly irritating to the skin.
rabbit eyesstandard drei eye dye experiment: 20mg seriously irritating to eyes.
rabbit eyesstandard dreze eye dye test：20mg/ 24h has a moderate irritating effect on the eyes.
2, acute toxicity: rat oral ld50: 2230mg/kg
mouse transperitoneal membrane ld50: 137mg/kg
mouse subcutaneously ldlo: 1100mg/kg
dogs subcutaneously ldlo: 220mg/kg
dogs intravenously injected ldlo: 165mg/kg
rabbit skinld50：63ul/kg
rabbit intravenous injection ldlo: 44mg/kg
ecological data
none yet
molecular structure data
5. molecular property data:
1, molar refractive index:42.03
2, molar volume (m3/mol):122.9
3, isotonic ratio (90.2k): 322.6
4, surface tension (dyne/cm): 47.5
molar refractive index:42.03
2, molar volume (m3/mol):122.9
3, isotonic ratio (90.2k): 322.6
4, surface tension (dyne/cm): 47.5
5、 polarizability (10-24cm3):16.66
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 32.3
7. number of heavy atoms: 10
8. surface charge: 0
9. complexity: 79.3
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
so-pagination: wi-orphan; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; tab-stops: list 36.0pt” align=left>5、 polarizability (10-24cm3):16.66
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 32.3
7. number of heavy atoms: 10
8. surface charge: 0
9. complexity: 79.3
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
