Diallyamine Diallyamine

Diallylamine structural formula

Structural formula

Business number 03HL
Molecular formula C6H11N
Molecular weight 97.16
label

N-2-propenyl-2-propen-1-amine,

Di-2-propenylamine,

Di-2-propenylamine,

Diallylamine,

diallylamine,

N,N-diallylamine,

aliphatic compounds

Numbering system

CAS number:124-02-7

MDL number:MFCD00008642

EINECS number:204-671-2

RTECS number:UC6650000

BRN number:773718

PubChem number:24894312

Physical property data

1. Properties: colorless liquid with ammonia odor


2. Freezing point: -100℃


3. Boiling point: 112℃


4. Relative density: 0.7889 (20℃)


5.Refractive index: 1.4404


6. Solubility: soluble in water, alcohol, ether, benzene

Toxicological data

1, skin/Eye irritation: rabbit skinStimulation experiment: 100ug/24H It has a slight irritating effect on the skin.


Rabbit eyesWash with water50mg/24S Severe irritation to eyes


2, acute toxicity: men inhaled TCLO: 5ppm/5M


Rat oral LD5O: 578mg/kg


Rat inhalationLC5O:795ppm/8H


Mouse oral LD5O: 355mg/kg


Mouse transperitoneal LD5O: 187mg/kg


Rabbit skinLD5O280uL/kg


3, other multiple dose toxicity: rat inhalation TCLO: 200ppm/7H/50D-I

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 32.89


2. Molar volume (m3/mol):126.5


3. isotonic specific volume (90.2K):276.8


4. Surface Tension (dyne/cm):22.8


5. Polarizability10-24cm3):13.03

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: 1

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 12

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 49.2

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

.Basic properties: There is a risk of combustion and explosion when exposed to open flames, high heat or contact with oxidants.

Storage method

Storage: Store sealed in a cool and ventilated place. Avoid open flames and high temperatures.

Synthesis method

Brief description of production method: obtained by hydrolysis of diallyl cyanamide. The hydrolysis reaction was carried out in sulfuric acid medium with gentle reflux for 6 hours. Yield 80-88%.

Purpose

Usage: organic synthesis intermediate.

sp; Molar volume (m3/mol):126.5


3. isotonic specific volume (90.2K):276.8


4. Surface Tension (dyne/cm):22.8


5. Polarizability10-24cm3):13.03

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: 1

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 12

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 49.2

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

.Basic properties: There is a risk of combustion and explosion when exposed to open flames, high heat or contact with oxidants.

Storage method

Storage: Store sealed in a cool and ventilated place. Avoid open flames and high temperatures.

Synthesis method

Brief description of production method: obtained by hydrolysis of diallyl cyanamide. The hydrolysis reaction was carried out in sulfuric acid medium with gentle reflux for 6 hours. Yield 80-88%.

Purpose

Usage: organic synthesis intermediate.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/26243

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