Toluene diisocyanate manufacturer Knowledge Phenylephrine Phenylephrine

Phenylephrine Phenylephrine

Phenylephrine base structural formula

Structural formula

Business number 01AD
Molecular formula C9H13NO2
Molecular weight 167.21
label

3-Hydroxy-α-[(methylamino)methyl]-benzyl alcohol

Numbering system

CAS number:59-42-7

MDL number:None

EINECS number:200-424-8

RTECS number:DO7175000

BRN number:None

PubChem ID:None

Physical property data

None yet

Toxicological data

1, acute toxicity: women through the eyes TDLo: 188ug/kg; infants via eye TDLo: 5500ug/kg; rats via oral TDLo: 350mg/kg; Rat subcutaneousLD5028mg/kg;
RatIntraduodenal LD5065mg /kg; mouse intraperitoneal LDLo: 60mg/kg; mouse subcutaneously LD50: 875mg/kg; mouse intravenous LD50: 38mg/ kg
2 , reproductive toxicity: female rat intravenous TDLo: 20ug/kg, Conception after 6 weeks; female domestic venousTDLo: 40ug/kg, 16 weeks after conception

Ecological data

None yet

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 47.44


2. Molar Volume (m3/mol):144.2


3. isotonic specific volume (90.2K):382.0


4. Surface Tension (dyne/cm):49.1


5. Polarizability10-24cm3):18.81

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 3

6. Topological molecule polar surface area 52.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 130

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

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

SUP>3):18.81

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 3

6. Topological molecule polar surface area 52.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 130

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

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/22850

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