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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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