Hosveratamine

Structural formula of homoveratamine

Structural formula

Business number 03BT
Molecular formula C10H15NO2
Molecular weight 181.23
label

3,4-Dimethoxyphenylethylamine,

2-(3,4-Dimethoxyphenyl)ethylamine,

2-(3,4-Dimethoxy)ethylamine,

High veratrylamine,

2-(3,4-Dimethoxyphenyl)ethylamine,

Homoveratrylamine,

aromatic compounds

Numbering system

CAS number:120-20-7

MDL number:MFCD00008188

EINECS number:204-376-9

RTECS number:SH2300000

BRN number:474393

PubChem number:24893271

Physical property data

1. Characteristics: Solid crystal.


2. Density (g/mL,25): 1.074


3. Relative vapor density (g/mL,air =1): Undetermined


4. Melting point (ºC): 124


5. Boiling point (ºC,normal pressure): Undetermined


6. Boiling point (ºC, 2.0KPa):188


7. Refractive index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (mmHg,ºC): Undetermined


12. Saturated vapor pressure (kPa, ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined

Toxicological data

1. Acute toxicity: Mouse oral LD50: 181mg/kg


Mouse intravenously LD50: 56mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 52.69


2. Molar volume (m3/mol):173.9


3. isotonic specific volume (90.2K):426.2


4. Surface Tension (dyne/cm):36.0


5. Polarizability10-24cm3):20.88

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 44.5

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 141

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

Storage method

None

Synthesis method

From 3,4-dimethoxyphenylacetonitrile ([93-17-4]) obtained by catalytic hydrogenation.

Purpose

Used as an intermediate in organic synthesis.

3/mol):173.9


3. isotonic specific volume (90.2K):426.2


4. Surface Tension (dyne/cm):36.0


5. Polarizability10-24cm3):20.88

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 44.5

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 141

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

Storage method

None

Synthesis method

From 3,4-dimethoxyphenylacetonitrile ([93-17-4]) obtained by catalytic hydrogenation.

Purpose

Used as an intermediate in organic synthesis.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/28747

author:

Previous article
Next article
Contact Us

Contact us

+86 - 152 2121 6908

Online consultation: QQ交谈

E-mail: sales@newtopchem.com

Working hours: Monday to Friday, 9:00-17:30, closed on holidays
Follow wechat
Scan wechat and follow us

Scan wechat and follow us

Follow Weibo
Back to top
Home
E-mail
Products
Search