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| CAS No.: | 625-43-4 |
|---|---|
| Name: | N-METHYLISOBUTYLAMINE |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C5H13N |
| Molecular Weight: | 87.1649 |
| Synonyms: | Propylamine,N,2-dimethyl- (7CI,8CI);2-Methyl-1-(methylamino)propane;Isobutylmethylamine;Methyl(2-methylpropyl)amine;Methylisobutylamine;N-Isobutyl-N-methylamine;N-Isobutylmethylamine;N-Methyl-2-methyl-n-propylamine;N-Methyl-2-methylpropan-1-amine;N-Methyl-N-isobutylamine;N-Methylisobutylamine; |
| EINECS: | 210-893-0 |
| Density: | 0.724 g/cm3 |
| Melting Point: | -75°C (estimate) |
| Boiling Point: | 73 °C at 760 mmHg |
| Solubility: | Miscible with water. |
| Hazard Symbols: | Xn |
| Risk Codes: | 11-34 |
| Safety: | 26-36/37/39 |
| PSA: | 12.03000 |
| LogP: | 1.25270 |
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- Total:34 Page 1 of 1 1
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Specification
The N-Methylisobutylamine with the cas number 625-43-4 is also called 1-Propanamine,N,2-dimethyl-. Both the systematic name and IUPAC name are N,2-dimethylpropan-1-amine. Its EINECS registry number is 210-893-0. The molecular formula is C5H13N.
The properties of the chemical are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.12; (4)ACD/LogD (pH 7.4): -1.93; (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: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.393; (14)Molar Refractivity: 28.76 cm3; (15)Molar Volume: 120.2 cm3; (16)Polarizability: 11.4×10-24cm3; (17)Surface Tension: 20.6 dyne/cm; (18)Enthalpy of Vaporization: 31.43 kJ/mol; (19)Vapour Pressure: 116 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is Highly flammable and can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N(CC(C)C)C
(2)InChI: InChI=1/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3
(3)InChIKey: QKYWADPCTHTJHQ-UHFFFAOYAG