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3-Aminopropylmethylamine

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Name

3-Aminopropylmethylamine

EINECS 228-544-6
CAS No. 6291-84-5 Density 0.823 g/cm3
PSA 38.05000 LogP 0.64580
Solubility Miscible with water Melting Point -72 °C
Formula C4H12N2 Boiling Point 140 °C at 760 mmHg
Molecular Weight 88.1527 Flash Point 35.6 °C
Transport Information UN 2734 Appearance Colourless Liquid with Ammonia odour
Safety 16-26-36/37-45 Risk Codes 10-20/21/22-34
Molecular Structure Molecular Structure of 6291-84-5 (N-METHYL-1,3-PROPANEDIAMINE) Hazard Symbols FlammableF,CorrosiveC,IrritantXi
Synonyms

1,3-Propanediamine,N-methyl- (6CI,7CI,8CI,9CI);(3-Aminopropyl)methylamine;1-(N-Methylamino)-3-aminopropane;1-Amino-3-(methylamino)propane;3-(Methylamino)-1-propylamine;3-(Methylamino)propylamine;3-Amino-1-(methylamino)propane;Koei 3306;Methylaminopropylamine;N-(3-Aminopropyl)-N-methylamine;N-(3-Aminopropyl)methylamine;N-Methyl-1,3-diaminopropane;N-Methyl-1,3-propanediamine;N-Methyl-1,3-propylenediamine;N-Methylpropylylenediamine;N-Methyltrimethylenediamine;N1-Methylpropane-1,3-diamine;NSC 8160;

Article Data 12

3-Aminopropylmethylamine Synthetic route

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether Solvent; Reflux;79.1%
With lithium aluminium tetrahydride; diethyl ether
With ammonia; nickel at 120℃; under 128714 Torr; Hydrogenation;
693-05-0

N-(2-cyanoethyl)-N-methylamine

6291-84-5

N-Methyl-1,3-propanediamine

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether Solvent; Reflux;79.1%
With lithium aluminium tetrahydride; diethyl ether
With ammonia; nickel at 120℃; under 128714 Torr; Hydrogenation;
352-90-9

1-methyl-1-(β-cyanoethyl)hydrazine

6291-84-5

N-Methyl-1,3-propanediamine

Conditions
ConditionsYield
With hydrogen; nickel In methanol
72565-83-4

2-ethylsulfanyl-3-methyl-3H-pyrimidin-4-one

64-17-5

ethanol

sodium

sodium

6291-84-5

N-Methyl-1,3-propanediamine

6-oxo-2-ethylsulfanyl-1-methyl-dihydropyrimidine

6-oxo-2-ethylsulfanyl-1-methyl-dihydropyrimidine

6291-84-5

N-Methyl-1,3-propanediamine

Conditions
ConditionsYield
With ethanol; sodium
N-methyl-N-<3-acetylamino-propyl>-4-nitroso-aniline

N-methyl-N-<3-acetylamino-propyl>-4-nitroso-aniline

6291-84-5

N-Methyl-1,3-propanediamine

Conditions
ConditionsYield
With water; sodium hydrogensulfite
693-05-0

N-(2-cyanoethyl)-N-methylamine

7664-41-7

ammonia

Raney nickel

Raney nickel

6291-84-5

N-Methyl-1,3-propanediamine

Conditions
ConditionsYield
at 120℃; under 125036 Torr;
67-56-1

methanol

109-76-2

Trimethylenediamine

A

109-55-7

1-amino-3-(dimethylamino)propane

B

111-33-1

1,3-bis(methylamino)propane

C

6291-84-5

N-Methyl-1,3-propanediamine

Conditions
ConditionsYield
With Cs-P-Si at 300℃; under 61504.9 Torr;
124-42-5

acetamidine hydrochloride

6291-84-5

N-Methyl-1,3-propanediamine

1,2-Dimethyl-1,4,5,6-tetrahydro-pyrimidine; hydrochloride

Conditions
ConditionsYield
100%
468741-39-1

(+/-)-2-{4-[2-(3-chloro-phenyl)-2-hydroxy-ethylamino]-2-oxo-1,2-dihydro-pyridin-3-yl}-7-methyl-3H-benzimidazole-5-carboximidic ethyl ester

6291-84-5

N-Methyl-1,3-propanediamine

(+/-)-4-[2-(3-chloro-phenyl)-2-hydroxy-ethylamino]-3-[4-methyl-6-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2yl]-1H-pyridin-2-one

Conditions
ConditionsYield
In ethanol Heating;100%

3-Aminopropylmethylamine Specification

The 3-Aminopropylmethylamine, with the CAS registry number 6291-84-5, is also known as N-Methyl-propane-1,3-diamine. It belongs to the product category of Pharmacetical. Its EINECS registry number is 228-544-6. This chemical's molecular formula is C4H12N2 and molecular weight is 88.15. Its IUPAC name and systematic name are the same which is called 3-azaniumylpropyl(methyl)azanium. This chemical is clear liquid.

Physical properties of 3-Aminopropylmethylamine: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.88; (4)ACD/LogD (pH 7.4): -4.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.43; (13)Molar Refractivity: 27.71 cm3; (14)Molar Volume: 107 cm3; (15)Surface Tension: 28.9 dyne/cm; (16)Density: 0.823 g/cm3; (17)Melting Point: -72 °C; (18)Flash Point: 35.6 °C; (19)Enthalpy of Vaporization: 37.72 kJ/mol; (20)Boiling Point: 140 °C at 760 mmHg; (21)Vapour Pressure: 6.26 mmHg at 25°C.

Uses of 3-Aminopropylmethylamine: it can be used to produce 1-methyl-1,5-diaza-spiro[5.5]undecane. This reaction will need reagent toluene-p-sulfonic acid and solvent toluene. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air. It only need brief contact with an ignition source and it has a very low flash point or evolve highly flammable gases in contact with water. This chemical may destroy living tissue on contact and may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. You should keep away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[NH2+]CCC[NH3+]
(2)InChI: InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3/p+2
(3)InChIKey: QHJABUZHRJTCAR-UHFFFAOYSA-P

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 282mg/kg (282mg/kg) KIDNEY, URETER, AND BLADDER: HEMATURIA National Technical Information Service. Vol. OTS0555335,
rat LC50 inhalation > 189mg/m3/6H (189mg/m3)   National Technical Information Service. Vol. OTS0555335,
rat LD50 oral 951mg/kg (951mg/kg) KIDNEY, URETER, AND BLADDER: HEMATURIA National Technical Information Service. Vol. OTS0555335,

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