CAS 4013-98-3 N,N'-Dicyclohexyl-1,2-ethanediamine (HCID 273886)

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Basic information

CAS: 4013-98-3
Standard SMILES: C1CCC(NCCNC2CCCCC2)CC1
InChIKey: JMRWVHXGVONXEZ-UHFFFAOYSA-N
Molecular formula: C14H28N2
Average molar mass: 224.39 g/mol
Monoisotopic mass: 224.2252489

Names & identifiers

Preferred name: N,N'-Dicyclohexyl-1,2-ethanediamine
IUPAC: N,N'-dicyclohexylethane-1,2-diamine
English name: N,N'-Dicyclohexyl-1,2-ethanediamine Hydrate
Molecular formula: C14H28N2
Molecular weight: 224.39

Names & synonyms

N,N'-Dicyclohexyl-1,2-ethanediamineRefChem:821888811-017-54013-98-3N1,N2-Dicyclohexylethane-1,2-diamine1,2-Ethanediamine, N,N'-dicyclohexyl-N,N'-dicyclohexylethane-1,2-diamineN,N'-Dicyclohexyl-1,2-ethanediamine hydrate1,2-Bis(cyclohexylamino)ethaneN,N'-dicyclohexylethylenediamineDICEDA4013-98-3(anhydrous)

Show more names

1,2-Ethanediamine, N1,N2-dicyclohexyl-N,N'-Dicyclohexyl-1,2-ethanediamine Hydrate >N,N'-Dicyclohexyl-1,2-ethanediamine Hydrate

SCHEMBL455085N,N'-dicylohexyl ethylenediamineDTXSID50960569JMRWVHXGVONXEZ-UHFFFAOYSA-NMFCD29477801NSC119571N,N'-Dicyclohexyl-1,2-diaminoethaneNSC 119571

Database identifiers

CAS: 4013-98-3
PubChem CID: 273886
DTXSID: DTXSID50960569
EC Number: 811-017-5
Nikkaji: J1.335.814A

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 24.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 150

Physicochemical properties

Melting point: 95 °C · 95 °C
Boiling point: 312 °C · 312°C(lit.)
Density: 0.93 · 0.93±0.1 g/cm3(Predicted)
solubility: soluble in Methanol
form: powder to crystal
pka: 10.85 · 10.85±0.20(Predicted)
color: White to Almost white
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 501 · P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
RIDADR: 3259 · UN 3259 8/PG II
HS Code: 2921.3 · 2921.30.3000
HazardClass: 8 · 8
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

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

Safety data

ridadr: UN 3259 8/PG II
hs_code: 2921.30.3000
Signal word: Danger
Symbol(GHS): GHS05
hazard_class: 8
packing_group: II
Hazard statements: H314
Precautionary statements: P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405