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Cas Database |
| Name |
2-Methyl-1H-imidazole-1-propanamine |
EINECS | N/A |
| CAS No. | 2258-21-1 | Density | 1.08 g/cm3 |
| PSA | 43.84000 | LogP | 1.24060 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H13N3 | Boiling Point | 288.3 °C at 760 mmHg |
| Molecular Weight | 139.2 | Flash Point | 128.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39-45 | Risk Codes | 22-34 |
| Molecular Structure |
|
Hazard Symbols | C |
| Synonyms |
Imidazole,1-(3-aminopropyl)-2-methyl- (7CI);1-(3-Aminopropyl)-2-methylimidazole;1-(3'-Aminopropyl)-2-methylimidazole;3-(2-Methylimidazol-1-yl)propylamine; |
Article Data | 8 |
2-Methyl-1H-imidazole-1-propanamine Specification
The 2-Methyl-1H-imidazole-1-propanamine with its cas register number is 2258-21-1. It also can be called as 1H-Imidazole-1-propanamine,2-methyl- and the Systematic name about this chemical is 3-(2-methyl-1H-imidazol-1-yl)propan-1-amine.
Physical properties about 2-Methyl-1H-imidazole-1-propanamine are: (1)ACD/LogP: -0.49; (2)ACD/LogD (pH 5.5): -4.52; (3)ACD/LogD (pH 7.4): -3.23; (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: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 21.06Å2; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 40.99 cm3; (14)Molar Volume: 127.9 cm3; (15)Polarizability: 16.25x10-24cm3; (16)Surface Tension: 40.7 dyne/cm; (17)Enthalpy of Vaporization: 52.75 kJ/mol; (18)Vapour Pressure: 0.00236 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1ccn(c1C)CCCN
(2)InChI: InChI=1/C7H13N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2-3,5,8H2,1H3
(3)InChIKey: NDUDHWBKFFJGMA-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H13N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2-3,5,8H2,1H3
(5)Std. InChIKey: NDUDHWBKFFJGMA-UHFFFAOYSA-N
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