1,2-Diaminocyclohexane, cis-
(1R,2S)-cyclohexane-1,2-diaMine · cis< · Compound Fr14224 · (2-aminocyclohexyl)amine · cis-1,2-Cyclohexandiamine · CIS-1,2-CYCLOHEXANEDIAMINE · CIS-1,2-DIAMINOCYCLOHEXANE · meso-1,2-Cyclohexanediamine
Identifiers & Physical Properties
| CAS No. | 1436-59-5 |
|---|---|
| Molecular formula | C6H14N2 |
| Average molar mass | 114.19 g/mol |
| Monoisotopic mass | 114.11569845 g/mol |
| SMILES | N[C@@H]1CCCC[C@@H]1N |
| InChIKey | SSJXIUAHEKJCMH-OLQVQODUSA-N |
| PubChem CID | 342917 |
| EC No. | 604-372-0 |
| DTXSID | DTXSID501311027 |
Chemical & Physical Properties
| XLogP | -0.3 |
|---|---|
| Topological polar surface area | 52 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 62.9 |
| Melting point | 8°C |
| Boiling point | 92-93 °C/18 mmHg (lit.) |
| Density | 0.952 g/mL at 25 °C (lit.) |
| Vapor pressure | 0.4 mm Hg ( 20 °C) |
| Refractive index | n20/D 1.493(lit.) |
| Flash point | 161 °F |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | Completely miscible in water |
| Physical state | Low Melting Solid |
| pKa (acidity coefficient) | 9.93(at 20℃) |
| Color | Brown |
| InChI | InChI=1/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6+ |
| InChIKey | SSJXIUAHEKJCMH-OLQVQODUSA-N |
| SMILES | [C@@H]1(N)CCCC[C@@H]1N |&1:0,6,r| |
| CAS DataBase Reference | 1436-59-5(CAS DataBase Reference) |
| FDA UNII | R0ZN6K26EP |
| NIST Chemistry Reference | cis-1,2-Cyclohexanediamine(1436-59-5) |
| UNSPSC Code | 12352100 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-36/37/39-45 |
| UN transport number | UN 2735 8/PG 2 |
| Water hazard class (WGK) | 3 |
| F | 10-34 |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Packing group | II |
| Customs code | 29213000 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| REACH registrations | Active |
| Limited quantities | 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Status: Active Update: 12-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21661 |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-34 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 2735 8/PG 2 |
| Customs code | 29213000 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 26-36/37/39-45 |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H314 |
| Limited quantities | 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| REACH registrations | Active |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 |
Applications & Uses
Description
cis-1, 2-Diaminocyclohexane is a cyclohexane derivative. It can be used for the synthesis of platinum complexes with high antitumor activity. It can also be used for the preparation of multidentate ligands for uranyl and transition metal complexation. Moreover, it can also be used as the base for the manufacturing of titanium salalen catalyst. Its derivative also has the potential to be manufactured into a potent factor Xa inhibitor.
Uses
cis-1,2-Diaminocyclohexane was used in the synthesis of platinum complexes that have high antitumor activity.It was also used in the synthesis of multidentate ligands for uranyl and transition metal complexation.
General Description
cis-1,2-Diaminocyclohexane perturbed the spectrum of free pyrroloquinoline quinone (PQQ), a covalently linked form of which is the carbonyl cofactor of lysyl oxidase and also induced similar changes in the spectrum of lysyl oxidase.