N-Methyl-1,3-propanediamine (6291-84-5)

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: