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CAS No.: | 21436-03-3 |
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Name: | (1S,2S)-(+)-1,2-Diaminocyclohexane |
Article Data: | 45 |
Molecular Structure: | |
Formula: | C6H14N2 |
Molecular Weight: | 114.191 |
Synonyms: | (1S,2S)-cyclohexane-1,2-diamine;((1S,2S)-2-Aminocyclohexyl)amine;(+)-trans-1,2-Cyclohexanediamine;(1S,2S)-(+)-1,2-Aminocyclohexane;(1S,2S)-trans-1,2-Diaminocyclohexane;(1S-trans)-1,2-Cyclohexanediamine;(S,S)-trans-1,2-Diaminocyclohexane;Cyclohexane-(1S,2S)-diamine;trans-(+)-1,2-Cyclohexanediamine;trans-(1S,2S)-1,2-Diaminocyclohexane; |
Density: | 0.939 g/cm3 |
Melting Point: | 40-43 °C(lit.) |
Boiling Point: | 193.6 °C at 760 mmHg |
Flash Point: | 75 °C |
Solubility: | soluble in water |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3259 8/PG 3 |
PSA: | 52.04000 |
LogP: | 1.61560 |
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This chemical is called (1S,2S)-(+)-1,2-Diaminocyclohexane, and its IUPAC name is (1S,2S)-cyclohexane-1,2-diamine. With the molecular formula of C6H14N2, its product categories are Chiral; API Intermediates; Chiral Reagent; Amines (Chiral); Chiral Building Blocks; Synthetic Organic Chemistry; Chiral Compound. The CAS registry number of this chemical is 21436-03-3. Additionally, it should be stored at 2-8 °C, away from oxides, acid, air and Carbon dioxide. It's used as a variety of chiral reagents and pharmaceutical intermediates.
Other characteristics of the (1S,2S)-(+)-1,2-Diaminocyclohexane can be summarised as followings: (1)ACD/LogP: -0.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.483; (8)Molar Refractivity: 34.77 cm3; (9)Molar Volume: 121.5 cm3; (10)Polarizability: 13.78×10-24cm3; (11)Surface Tension: 37 dyne/cm; (12)Density: 0.939 g/cm3; (13)Flash Point: 75 °C; (14)Enthalpy of Vaporization: 42.98 kJ/mol; (15)Boiling Point: 193.6 °C at 760 mmHg; (16)Vapour Pressure: 0.46 mmHg at 25°C.
Uses of this chemical: The (1S,2S)-(+)-1,2-Diaminocyclohexane could react with chloroacetyl chloride, and obtain the N,N'-bis(chloroacetyl)-1S,2S-diaminocyclohexane. This reaction needs the reagent of K2CO3, and the solvents of CHCl3, H2O. The yield is 87 %.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: N[C@H]1CCCC[C@@H]1N
2.InChI: InChI=1/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m0/s1 InChIKey:
SSJXIUAHEKJCMH-WDSKDSINBK