2-Pentanamine,N-(1,3-dimethylbutyl)-4-methyl- supplier

Name
1,1',3,3'-tetramethyldibutylamine
EINECS 203-303-8
CAS No. 105-51-1
Density 0.782 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₇N
Boiling Point 201.2 °C at 760 mmHg
Molecular Weight 185.353
Flash Point 53.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 12.03000
LogP 3.83610

2-Pentanamine,N-(1,3-dimethylbutyl)-4-methyl- Specification

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^-24cm³; (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

Product Name

1,1',3,3'-tetramethyldibutylamine

2-Pentanamine,N-(1,3-dimethylbutyl)-4-methyl- Specification

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