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2,2-Dimethyl-1,3-propanediamine

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Name

2,2-Dimethyl-1,3-propanediamine

EINECS 230-819-0
CAS No. 7328-91-8 Density 0.862 g/cm3
PSA 52.04000 LogP 1.33060
Solubility N/A Melting Point 29-31 °C(lit.)
Formula C5H14N2 Boiling Point 150.4 °C at 760 mmHg
Molecular Weight 102.18 Flash Point 47.2 °C
Transport Information UN 2921 8/PG 2 Appearance clear to yellow liquid or semi-solid
Safety 16-26-27-36/37/39-45 Risk Codes 10-34
Molecular Structure Molecular Structure of 7328-91-8 (2,2-Dimethyl-1,3-propanediamine) Hazard Symbols CorrosiveC
Synonyms

(3-Amino-2,2-dimethylpropyl)amine;1,2-Diamino-2,2-dimethylpropane;1,3-Diamino-2,2-dimethylpropane;2,2-Dimethyltrimethylenediamine;NSC 17719;

Article Data 19

2,2-Dimethyl-1,3-propanediamine Synthetic route

41882-44-4

2,2-dimethylmalonamide

7328-91-8

2,2-Dimethyl-1,3-diaminopropane

Conditions
ConditionsYield
With dimethylsulfide borane complex In tetrahydrofuran for 2h; Heating;75%
67744-70-1

3-amino-2,2-dimethyl-propionitrile

7328-91-8

2,2-Dimethyl-1,3-diaminopropane

Conditions
ConditionsYield
With methanol; nickel Hydrogenation;

2,2-dimethyl-1,3-diphthalimido-propane

7328-91-8

2,2-Dimethyl-1,3-diaminopropane

Conditions
ConditionsYield
With potassium hydroxide; water
762-98-1

2,2-dimethyl-1,3-dinitropropane

7328-91-8

2,2-Dimethyl-1,3-diaminopropane

Conditions
ConditionsYield
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
762-98-1

2,2-dimethyl-1,3-dinitropropane

A

7328-91-8

2,2-Dimethyl-1,3-diaminopropane

B

41882-44-4

2,2-dimethylmalonamide

Conditions
ConditionsYield
With ethanol; nickel at 60℃; under 51485.6 Torr; Hydrogenation;
With ethanol; nickel at 60℃; under 51485.6 Torr; Hydrogenation;
31044-89-0

1,3-diazido-2,2-dimethyl-propane

7328-91-8

2,2-Dimethyl-1,3-diaminopropane

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran for 18h; Heating;
126-30-7

2,2-Dimethyl-1,3-propanediol

A

26734-09-8

3-amino-2,2-dimethylpropan-1-ol

B

7328-91-8

2,2-Dimethyl-1,3-diaminopropane

Conditions
ConditionsYield
With ammonia; hydrogen; Co-Fe catalyst at 210℃; under 37503 - 112509 Torr; Product distribution;
7647-01-0

hydrogenchloride

859065-87-5

2-(5,5-dimethyl-hexahydro-pyrimidin-2-yl)-2-methyl-propionic acid amide

60-29-7

diethyl ether

64-17-5

ethanol

A

7328-91-8

2,2-Dimethyl-1,3-diaminopropane

B

2,2-dimethyl-3-oxo-propionic acid amide (as 2,4-dinitro-phenyl hydrazone isolated)

2,2-dimethyl-3-oxo-propionic acid amide (as 2,4-dinitro-phenyl hydrazone isolated)

64-17-5

ethanol

762-98-1

2,2-dimethyl-1,3-dinitropropane

Raney nickel

Raney nickel

A

7328-91-8

2,2-Dimethyl-1,3-diaminopropane

B

41882-44-4

2,2-dimethylmalonamide

Conditions
ConditionsYield
at 60℃; under 51485.6 Torr; Hydrogenation;
at 60℃; under 51485.6 Torr; Hydrogenation;
7647-01-0

hydrogenchloride

114583-17-4

α-(nitromethyl)isobutyronitrile

iron powder

iron powder

A

859065-87-5

2-(5,5-dimethyl-hexahydro-pyrimidin-2-yl)-2-methyl-propionic acid amide

B

7328-91-8

2,2-Dimethyl-1,3-diaminopropane

C

67744-70-1

3-amino-2,2-dimethyl-propionitrile

D

324763-51-1

aminopivalinamide

Conditions
ConditionsYield
at 60 - 70℃;
at 60 - 70℃;

2,2-Dimethyl-1,3-propanediamine Specification

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%.

Neopentyldiamine can be prepared by dimethyl-malonic acid diamide

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%.

Neopentyldiamine can react with formaldehyde to get 5,5-dimethylhexahydropyrimidine

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

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