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1,6-Hexanediamine,2,4,4-trimethyl-
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Name

1,6-Hexanediamine,2,4,4-trimethyl-

 EINECS 221-793-1
CAS No. 3236-54-2 Density 0.856 g/cm3
PSA 52.04000 LogP 2.74690
Solubility N/A Melting Point N/A
Formula C9H22N2 Boiling Point 224.1 °C at 760 mmHg
Molecular Weight 158.287 Flash Point 102.4 °C
Transport Information UN 2327 Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3236-54-2 (2,4,4-trimethylhexane-1,6-diamine) Hazard Symbols N/A
Synonyms

2,4,4-Trimethyl-1,6-hexanediamine;2,4,4-Trimethylhexamethylene-1,6-diamine;2,4,4-Trimethylhexamethylenediamine;2,4,4-trimethylhexane-1,6-diamine;2,4,4-trimethylhexane-1,6-diamine;

Article Data 2

1,6-Hexanediamine,2,4,4-trimethyl- Synthetic route

1068-18-4

2,4,4-Trimethyl-adiponitril

919-97-1

2,2,4-Trimethyl-adiponitril

A

3236-53-1

2,2,4-trimethylhexamethylenediamine

B

3236-54-2

2,4,4-trimethylhexamethylenediamine

Conditions
ConditionsYield
With ammonia; hydrogen; Raney-type cobalt catalyst at 120℃; under 187519 Torr; for 6h; Product distribution / selectivity;
With ammonia; hydrogen; Raney-type cobalt catalyst at 120℃; under 187519 Torr; for 6h; Product distribution / selectivity;
3236-53-1

2,2,4-trimethylhexamethylenediamine

3236-54-2

2,4,4-trimethylhexamethylenediamine

822-06-0

Hexamethylene diisocyanate

polydimethylsiloxane DMS-A15, chain-end-functionalized with 3-aminopropyl, equivalent molecular weight 2500 g/mol

polydimethylsiloxane DMS-A15, chain-end-functionalized with 3-aminopropyl, equivalent molecular weight 2500 g/mol

urea-siloxane polymer, composed of amino-terminated polydimethylsiloxane oligomer, hexamethylene diisocyanate and 2,2(4),4-trimethyl-1,6-diaminohexane, ratio siloxane diamine/diaminohexane 4:1, molecular weight 23790 g/mol

urea-siloxane polymer, composed of amino-terminated polydimethylsiloxane oligomer, hexamethylene diisocyanate and 2,2(4),4-trimethyl-1,6-diaminohexane, ratio siloxane diamine/diaminohexane 4:1, molecular weight 23790 g/mol

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 2h;
3236-53-1

2,2,4-trimethylhexamethylenediamine

3236-54-2

2,4,4-trimethylhexamethylenediamine

822-06-0

Hexamethylene diisocyanate

polydimethylsiloxane DMS-A15, chain-end-functionalized with 3-aminopropyl, equivalent molecular weight 2500 g/mol

polydimethylsiloxane DMS-A15, chain-end-functionalized with 3-aminopropyl, equivalent molecular weight 2500 g/mol

urea-siloxane polymer, composed of amino-terminated polydimethylsiloxane oligomer, hexamethylene diisocyanate and 2,2(4),4-trimethyl-1,6-diaminohexane, ratio siloxane diamine/diaminohexane 3:1, molecular weight 16000 g/mol

urea-siloxane polymer, composed of amino-terminated polydimethylsiloxane oligomer, hexamethylene diisocyanate and 2,2(4),4-trimethyl-1,6-diaminohexane, ratio siloxane diamine/diaminohexane 3:1, molecular weight 16000 g/mol

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 2h;
3236-54-2

2,4,4-trimethylhexamethylenediamine

2530-83-8

3-glycidoxypropyltrimethoxysilane

TG13

Conditions
ConditionsYield
Stage #1: 2,4,4-trimethylhexamethylenediamine; 3-glycidoxypropyltrimethoxysilane In ethanol at 70℃; for 3h;
Stage #2: With acetic acid In ethanol
3236-54-2

2,4,4-trimethylhexamethylenediamine

2530-83-8

3-glycidoxypropyltrimethoxysilane

TG14

Conditions
ConditionsYield
Stage #1: 2,4,4-trimethylhexamethylenediamine; 3-glycidoxypropyltrimethoxysilane In ethanol at 70℃; for 3h;
Stage #2: With acetic acid In ethanol

1,6-Hexanediamine,2,4,4-trimethyl- Specification

The 1,6-Hexanediamine,2,4,4-trimethyl-, with the CAS registry number 3236-54-2 and EINECS registry number 221-793-1, has the systematic name of 2,4,4-trimethylhexane-1,6-diamine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H22N2.

The characteristics of 1,6-Hexanediamine,2,4,4-trimethyl- are as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.01; (4)ACD/LogD (pH 7.4): -3.01; (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: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 50.73 cm3; (15)Molar Volume: 184.8 cm3; (16)Polarizability: 20.11×10-24cm3; (17)Surface Tension: 32.3 dyne/cm; (18)Density: 0.856 g/cm3; (19)Flash Point: 102.4 °C; (20)Enthalpy of Vaporization: 46.06 kJ/mol; (21)Boiling Point: 224.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0929 mmHg at 25°C.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NCCC(CC(C)CN)(C)C
(2)InChI: InChI=1/C9H22N2/c1-8(7-11)6-9(2,3)4-5-10/h8H,4-7,10-11H2,1-3H3
(3)InChIKey: DPQHRXRAZHNGRU-UHFFFAOYAZ

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