2,2,4-Trimethyl-1,6-hexanediamine supplier

Name
2,2,4-trimethylhexane-1,6-diamine
EINECS 221-792-6
CAS No. 3236-53-1
Article Data3
CAS DataBase
Density 0.856 g/cm³
Solubility
Melting Point 227 °C
Formula C₉H₂₂N₂
Boiling Point 224.9 °C at 760 mmHg
Molecular Weight 158.287
Flash Point 103.4 °C
Transport Information UN 2327
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,6-Diamino-2,2,4-trimethylhexane;2,2,4-Trimethylhexamethylene-1,6-diamine;2,2,4-Trimethylhexamethylenediamine;2,2,4-Trimethylhexanediamine;
PSA 52.04000
LogP 2.74690

2,2,4-Trimethyl-1,6-hexanediamine Specification

The CAS registry number of 1,6-Hexanediamine,2,2,4-trimethyl- is 3236-53-1. Its EINECS registry number is 221-792-6. The IUPAC name is 2,2,4-trimethylhexane-1,6-diamine. In addition, the molecular formula is C₉H₂₂N₂ and the molecular weight is 158.28. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 5.5): -3.01; (3)ACD/LogD (pH 7.4): -3.01; (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: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 6.48 Å²; (12)Index of Refraction: 1.461; (13)Molar Refractivity: 50.73 cm³; (14)Molar Volume: 184.8 cm³; (15)Polarizability: 20.11 ×10^-24cm³; (16)Surface Tension: 32.3 dyne/cm; (17)Density: 0.856 g/cm³; (18)Flash Point: 103.4 °C; (19)Enthalpy of Vaporization: 46.14 kJ/mol; (20)Boiling Point: 224.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0889 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCC(CC(C)(CN)C)C
(2)InChI: InChI=1/C9H22N2/c1-8(4-5-10)6-9(2,3)7-11/h8H,4-7,10-11H2,1-3H3
(3)InChIKey: JCUZDQXWVYNXHD-UHFFFAOYAE

Product Name

2,2,4-trimethylhexane-1,6-diamine

2,2,4-Trimethyl-1,6-hexanediamine Specification

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