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| CAS No.: | 35161-71-8 |
|---|---|
| Name: | N-METHYLPROPARGYLAMINE |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C4H7N |
| Molecular Weight: | 69.1063 |
| Synonyms: | 2-Propynylamine,N-methyl- (7CI);3-Methylaminoprop-1-yne;Methyl(2-propynyl)amine;Methyl(propargyl)amine;N-Methyl-2-propyn-1-amine;N-Methyl-2-propynylamine;N-Methyl-N-2-propynylamine;N-Methyl-N-propargylamine;N-Methylpropargylamine;NSC 56897; |
| EINECS: | 252-411-1 |
| Density: | 0.793 g/cm3 |
| Boiling Point: | 83.9 °C at 760 mmHg |
| Flash Point: | 0.6 °C |
| Hazard Symbols: |
 
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| Risk Codes: | 11-34-37 |
| Safety: | 9-16-26-33-36/37/39-45 |
| Transport Information: | UN 2733 3/PG 2 |
| PSA: | 12.03000 |
| LogP: | 0.22990 |
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Specification
The N-Methylpropargylamine, its cas register number is 35161-71-8. It also can be called as 3-Methylamino-1-propyne and the IUPAC name about this chemical is N-methylprop-2-yn-1-amine. It belongs to the Aliphatics.
Physical properties about N-Methylpropargylamine are: (1)ACD/LogP: -0.05; (2)ACD/LogD (pH 5.5): -2.85; (3)ACD/LogD (pH 7.4): -1.27; (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): 1.36; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24Å2; (12)Index of Refraction: 1.418; (13)Molar Refractivity: 22 cm3; (14)Molar Volume: 87.1 cm3; (15)Polarizability: 8.72x10-24cm3; (16)Surface Tension: 26.7 dyne/cm; (17)Enthalpy of Vaporization: 32.44 kJ/mol; (18)Vapour Pressure: 74 mmHg at 25°C
Uses of N-Methylpropargylamine: it can be used to react with phosphorochloridous acid diethyl ester to produce methyl-prop-2-ynyl-phosphoramidous acid diethyl ester at temperature of 0 - 5 ℃. It will need reagent triethylamine and diethyl ether with reaction time of 1 hours. The yield is about 30 %.
Being a kind of irritant chemical, it is irritating to respiratory system. Also it is highly flammable and can causes burns. When you are contacting with it, wear suitable protective clothing, gloves and eye/face protection, keep away from sources of ignition and take precautionary measures against static discharges. Also keep container in a well-ventilated place. And if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice, also in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNCC#C
(2)InChI: InChI=1S/C4H7N/c1-3-4-5-2/h1,5H,4H2,2H3
(3)InChIKey: HQFYIDOMCULPIW-UHFFFAOYSA-N