Toluene diisocyanate manufacturer Knowledge 2-Phenyldiethanolamine N-Phenylethanolamine

2-Phenyldiethanolamine N-Phenylethanolamine

2-Phenyldiethanolamine structural formula

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 test20mg/ 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 skinLD5063uL/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

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/25771

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