1,2-Diaminocyclohexane, cis- (HCID 342917)

Names & identifiers

Preferred name: 1,2-Diaminocyclohexane, cis-
IUPAC: cis-(1S,2R)-cyclohexane-1,2-diamine
English name: cis-1,2-Diaminocyclohexane
Molecular formula: C6H14N2
Molecular weight: 114.19

Names & synonyms

cis-1,2-Diaminocyclohexane1436-59-5cis-1,2-Cyclohexanediamine1,2-Diaminocyclohexane, cis-meso-1,2-Cyclohexanediamine1,2-Cyclohexanediamine, (1R,2S)-rel-DTXSID501311027RefChem:411506DTXCID901740856(+-)-CIS-CYCLOHEXANE-1,2-DIAMINE604-372-0cis-cyclohexane-1,2-diamine

Show more names

cis<Compound Fr14224(2-aminocyclohexyl)amine1,2-DIAMINOCYCLOHEXANE, cis

(1R,2S)-cyclohexane-1,2-diamine(1S,2R)-cyclohexane-1,2-diamineMFCD00063746R0ZN6K26EP1,2-Cyclohexanediamine #cis-1,2-CyclohexandiamineUNII-R0ZN6K26EP(R)(S)-1,2-Diaminocyclohexane

Database identifiers

CAS: 1436-59-5
PubChem CID: 342917
DTXSID: DTXSID501311027
UNII: R0ZN6K26EP
EC Number: 604-372-0
Nikkaji: J80.111I

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 62.9

Physicochemical properties

Melting point: 8 °C · 8°C
Boiling point: 92 · 92-93 °C/18 mmHg (lit.)
Density: 0.952 g/mL · 0.952 g/mL at 25 °C (lit.)
vapor pressure: 0.4 mm · 0.4 mm Hg ( 20 °C)
refractive index: 20 · n20/D 1.493(lit.)
Flash point: 161 °F · 161 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Water Solubility: Completely miscible in water
form: Low Melting Solid
pka: 9.93 · 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 · 1436-59-5(CAS DataBase Reference)
FDA UNII: 0 ZN6K26EP · R0ZN6K26EP
NIST Chemistry Reference: -1 · cis-1,2-Cyclohexanediamine(1436-59-5)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-34
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29213000 · 29213000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
REACH Registrations: Active
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (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.

Hazard information

Regulatory InformationStatus: Active Update: 12-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21661

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F: 10-34
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2735 8/PG 2
hs_code: 29213000
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
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
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Applications · 3 items

Descriptioncis-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.

Usescis-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 Descriptioncis-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.