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: widow-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