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CAS No.: | 7328-91-8 |
---|---|
Name: | 2,2-Dimethyl-1,3-propanediamine |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C5H14N2 |
Molecular Weight: | 102.18 |
Synonyms: | (3-Amino-2,2-dimethylpropyl)amine;1,2-Diamino-2,2-dimethylpropane;1,3-Diamino-2,2-dimethylpropane;2,2-Dimethyltrimethylenediamine;NSC 17719; |
EINECS: | 230-819-0 |
Density: | 0.862 g/cm3 |
Melting Point: | 29-31 °C(lit.) |
Boiling Point: | 150.4 °C at 760 mmHg |
Flash Point: | 47.2 °C |
Appearance: | clear to yellow liquid or semi-solid |
Hazard Symbols: | C |
Risk Codes: | 10-34 |
Safety: | 16-26-27-36/37/39-45 |
Transport Information: | UN 2921 8/PG 2 |
PSA: | 52.04000 |
LogP: | 1.33060 |
2,2-dimethylmalonamide
2,2-Dimethyl-1,3-diaminopropane
Conditions | Yield |
---|---|
With dimethylsulfide borane complex In tetrahydrofuran for 2h; Heating; | 75% |
3-amino-2,2-dimethyl-propionitrile
2,2-Dimethyl-1,3-diaminopropane
Conditions | Yield |
---|---|
With methanol; nickel Hydrogenation; |
2,2-Dimethyl-1,3-diaminopropane
Conditions | Yield |
---|---|
With potassium hydroxide; water |
Conditions | Yield |
---|---|
With hydrogenchloride; water; iron at 100℃; durch Reduktion; | |
With methanol; nickel under 30891.3 Torr; Hydrogenation; | |
With methanol; nickel at 50 - 75℃; under 51485.6 Torr; Hydrogenation; | |
With hydrogen; nickel |
2,2-dimethyl-1,3-dinitropropane
A
2,2-Dimethyl-1,3-diaminopropane
B
2,2-dimethylmalonamide
Conditions | Yield |
---|---|
With ethanol; nickel at 60℃; under 51485.6 Torr; Hydrogenation; | |
With ethanol; nickel at 60℃; under 51485.6 Torr; Hydrogenation; |
1,3-diazido-2,2-dimethyl-propane
2,2-Dimethyl-1,3-diaminopropane
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran for 18h; Heating; |
2,2-Dimethyl-1,3-propanediol
A
3-amino-2,2-dimethylpropan-1-ol
B
2,2-Dimethyl-1,3-diaminopropane
Conditions | Yield |
---|---|
With ammonia; hydrogen; Co-Fe catalyst at 210℃; under 37503 - 112509 Torr; Product distribution; |
hydrogenchloride
2-(5,5-dimethyl-hexahydro-pyrimidin-2-yl)-2-methyl-propionic acid amide
diethyl ether
ethanol
A
2,2-Dimethyl-1,3-diaminopropane
ethanol
2,2-dimethyl-1,3-dinitropropane
A
2,2-Dimethyl-1,3-diaminopropane
B
2,2-dimethylmalonamide
Conditions | Yield |
---|---|
at 60℃; under 51485.6 Torr; Hydrogenation; | |
at 60℃; under 51485.6 Torr; Hydrogenation; |
hydrogenchloride
α-(nitromethyl)isobutyronitrile
A
2-(5,5-dimethyl-hexahydro-pyrimidin-2-yl)-2-methyl-propionic acid amide
B
2,2-Dimethyl-1,3-diaminopropane
C
3-amino-2,2-dimethyl-propionitrile
D
aminopivalinamide
Conditions | Yield |
---|---|
at 60 - 70℃; | |
at 60 - 70℃; |
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The CAS registry number of Neopentyldiamine is 7328-91-8. Its EINECS registry number is 230-819-0. The IUPAC name is 2,2-dimethylpropane-1,3-diamine. In addition, the molecular formula is C5H14N2 and the molecular weight is 102.18. It is also called 1,3-propanediamine,2,2-dimethyl-. What's more, it belongs to the classes of Amine Monomers; Monomers; Primary Amines. And it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: -0.73; (2)ACD/LogD (pH 5.5): -4.82; (3)ACD/LogD (pH 7.4): -4.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 6.48 Å2; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 32.24 cm3; (14)Molar Volume: 118.4 cm3; (15)Polarizability: 12.78 ×10-24cm3; (16)Surface Tension: 33.1 dyne/cm; (17)Density: 0.862 g/cm3; (18)Flash Point: 47.2 °C; (19)Enthalpy of Vaporization: 38.72 kJ/mol; (20)Boiling Point: 150.4 °C at 760 mmHg; (21)Vapour Pressure: 3.86 mmHg at 25°C.
Preparation of Neopentyldiamine: it can be prepared by dimethyl-malonic acid diamide. This reaction will need reagent BH3*SMe2 and solvent tetrahydrofuran. The reaction time is 2 hours by heating. The yield is about 75%.
Uses of Neopentyldiamine: it can react with formaldehyde to get 5,5-dimethylhexahydropyrimidine. This reaction will need solvent H2O. The reaction time is 24 hours at reaction temperature of 20 °C. The yield is about 88%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). What's more, you should keep away from sources of ignition and no smoking. And you should take off immediately all contaminated clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: NCC(C)(C)CN
(2)InChI: InChI=1/C5H14N2/c1-5(2,3-6)4-7/h3-4,6-7H2,1-2H3
(3)InChIKey: DDHUNHGZUHZNKB-UHFFFAOYAL