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.
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