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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
Solubility miscible with water Melting Point 41-45 °C
Formula C6H14N2 Boiling Point 193.643 °C at 760 mmHg
Molecular Weight 114.22 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;

 

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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