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 water：50mg/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 skinLD5O：280uL/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. Polarizability（10-24cm3):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. Polarizability（10-24cm3):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.
微信扫一扫打赏
