N,N-dimethylcephalin

N,N-Dimethylbrazin Structural Formula

Structural formula

Business number 053J
Molecular formula C12H16N2O
Molecular weight 204.27
label

N,N-dimethylcephalin,

Bufotryptamine

Numbering system

CAS number:487-93-4

MDL number:None

EINECS number:207-667-9

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: Undetermined


2. Density (g/ m3,25/4): Undetermined


3. Relative vapor density (g/cm3,AIR=1): Undetermined


4. Melting point (ºC): Undetermined


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


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive Index: Undetermined


8. Flash Point (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


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


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturated vapor pressure (kPa,60ºC): Undetermined


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


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Water) logarithm of the partition coefficient: not OK


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


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


19. Solubility: Undetermined

Toxicological data

Acute toxicity: human intravenous TDLo: 57ug/kg, Peripheral nerves and sensation Sensory changes involve peripheral nerves, lungs, Chest or respiratoryOther changes GastrointestinalOther changes;


Mouse transperitoneallyLD50: 290mg/kg, no details except lethal dose;


Mouse transvenousLD50: 25mg/kg, no details except lethal dose;


Frog Parenteral LDLo: 2500mg/kg, except for lethal doses No detailed explanation.

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1 Molar refractive index:62.94


2 Molar volumem3/mol)173.3


3 Isotonic specific volume (90.2K): 467.5


4 Surface tensiondyne/cm)52.8


5 Polarizability(10-24cm324.95

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: 9

6. Topological molecule polar surface area 39.3

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 208

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

Use and store according to specifications, will not decompose, and avoid contact with oxides

Storage method

Seal and store in a ventilated, dry environment

Synthesis method

None

Purpose

None

Resource:allhdi.com

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/49196

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