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1,2-Diaminocyclohexane

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Name

1,2-Diaminocyclohexane

EINECS 211-776-7
CAS No. 694-83-7 Density 0.939 g/cm3
PSA 52.04000 LogP 1.61560
Solubility miscible with water Melting Point 41-45 °C
Formula C6H14N2 Boiling Point 193.643 °C at 760 mmHg
Molecular Weight 114.191 Flash Point 75 °C
Transport Information UN 3259 8/PG 2 Appearance clear slightly yellow to yellow liquid
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 694-83-7 (1,2-CYCLOHEXANEDIAMINE) Hazard Symbols CorrosiveC
Synonyms

1,2-Cyclohexanediamine;DHC 99;Dytek DCH 99;

Article Data 38

1,2-Diaminocyclohexane Synthetic route

286-20-4

cyclohexane-1,2-epoxide

694-83-7

1,2-diaminocyclohexane

Conditions
ConditionsYield
With palladium on activated charcoal; ammonia; hydrogen In water at 110 - 250℃; under 18751.9 Torr; Pressure; Temperature; Solvent; Reagent/catalyst; Autoclave;95%
34126-95-9

2-aminocyclohexanecarboxamide

694-83-7

1,2-diaminocyclohexane

Conditions
ConditionsYield
With potassium hypobromite und Erwaermen des Reaktionsprodukts mit Salzsaeure; es liefert die freie Base mit KOH;
32003-11-5

cyclohexane-1,2-dicarboxylic acid dihydrazide

694-83-7

1,2-diaminocyclohexane

Conditions
ConditionsYield
beim Abbau nach Curtius; cis(?)-hexahydrophthalic acid dihydrazide;
26593-33-9

1,2-diazidocyclohexane

694-83-7

1,2-diaminocyclohexane

Conditions
ConditionsYield
With hydrogen; platinum(IV) oxide In methanol

N-(1-Ureido-ethyliden)-trans-2-chlor-cyclohexylamin

694-83-7

1,2-diaminocyclohexane

Conditions
ConditionsYield
With sodium hydroxide In ethylene glycol Heating;
110-83-8

cyclohexene

694-83-7

1,2-diaminocyclohexane

Conditions
ConditionsYield
With lithium aluminium tetrahydride; 2; nitrogen(II) oxide 1) THF, 0 deg C, 120 min; 2) THF, -70 deg C, room temperature (overnight), reflux (1 h); Yield given. Multistep reaction;

O-Ethyl-N-(2-nitro-cyclohexyl)-hydroxylamine

694-83-7

1,2-diaminocyclohexane

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol under 760 Torr; Ambient temperature; Yield given;
96058-39-8

2,3-diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline

mineral acid

mineral acid

A

694-83-7

1,2-diaminocyclohexane

B

134-81-6

benzil

2562-37-0

1-nitrocyclohexene

694-83-7

1,2-diaminocyclohexane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: NaHCO3 / tetrahydrofuran / Ambient temperature
2: H2 / 10percent Pd/C / ethanol / 760 Torr / Ambient temperature
View Scheme
64162-07-8

2-amino-cyclohexanecarboxylic acid ethyl ester

694-83-7

1,2-diaminocyclohexane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 145 °C / im geschlossenen Rohr
2: potassium hypobromite / und Erwaermen des Reaktionsprodukts mit Salzsaeure; es liefert die freie Base mit KOH
View Scheme

1,2-Diaminocyclohexane Specification

1,2-Diaminocyclohexan, with the CAS NO.694-83-7 and the Molecular Formula of C6H14N2, has the other names of trans-1,2-cyclohexanediamine; (+/-)-trans-cyclohexane-1,2-diamine; trans-cyclohexane-1,2-diamine; (+/-)-1,2-diaminocyclohexane; trans-1,2-diaminocyclohexane; trans-1,2-diamiocyclohexane; DACH.  This diamine is a building block for chiral ligands that are useful in asymmetric catalysis.

Physical properties about 1,2-Diaminocyclohexan are: (1)ACD/LogP: 0.171; (2)ACD/LogD (pH 5.5): -3.58; (3)ACD/LogD (pH 7.4): -2.77; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.484; (12)Molar Refractivity: 34.776 cm3; (13)Molar Volume: 121.597 cm3; (14)Polarizability: 13.786 10-24cm3; (15)Surface Tension: 37.0369987487793 dyne/cm; (16)Density: 0.939 g/cm3; (17)Flash Point: 75 °C; (18)Enthalpy of Vaporization: 42.984 kJ/mol; (19)Boiling Point: 193.643 °C at 760 mmHg; (20)Vapour Pressure: 0.46000000834465 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);

You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2;
(2)InChIKey=SSJXIUAHEKJCMH-UHFFFAOYSA-N;
(3)SmilesC1[C@@H]([C@@H](CCC1)N)N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LCLo inhalation 3200mg/m3/4H (3200mg/m3)   Toxicologist. Vol. 12, Pg. 357, 1992.
rat LD50 oral 4556mg/kg (4556mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
National Technical Information Service. Vol. OTS0535386,

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