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Name |
2-Pentanamine,N-(1,3-dimethylbutyl)-4-methyl- |
EINECS | 203-303-8 |
CAS No. | 105-51-1 | Density | 0.782 g/cm3 |
PSA | 12.03000 | LogP | 3.83610 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H27N | Boiling Point | 201.2 °C at 760 mmHg |
Molecular Weight | 185.353 | Flash Point | 53.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 48081;1,1',3,3'-Tetramethyldibutylamine;Dibutylamine,1,1',3,3'-tetramethyl- (6CI,8CI);4-Methyl-N-(4-methylpentan-2-yl)pentan-2-amine; |
The 2-Pentanamine,N-(1,3-dimethylbutyl)-4-methyl-, with the CAS registry number 105-51-1, is also known as 1,1',3,3'-Tetramethyldibutylamine. Its EINECS number is 203-303-8. This chemical's molecular formula is C12H27N and molecular weight is 185.35. What's more, its systematic name is 4-Methyl-N-(4-methylpentan-2-yl)pentan-2-amine.
Physical properties of 2-Pentanamine,N-(1,3-dimethylbutyl)-4-methyl- are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.42; (8)ACD/KOC (pH 7.4): 4.11; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 61.07 cm3; (15)Molar Volume: 236.9 cm3; (16)Polarizability: 24.21×10-24 cm3; (17)Surface Tension: 24.4 dyne/cm; (18)Density: 0.782 g/cm3; (19)Flash Point: 53.7 °C; (20)Enthalpy of Vaporization: 43.74 kJ/mol; (21)Boiling Point: 201.2 °C at 760 mmHg; (22)Vapour Pressure: 0.313 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CC(C)NC(C)CC(C)C
(2)InChI: InChI=1S/C12H27N/c1-9(2)7-11(5)13-12(6)8-10(3)4/h9-13H,7-8H2,1-6H3
(3)InChIKey: WNOMKCAADBZQOV-UHFFFAOYSA-N