N-Ethylcyclohexylamine - CAS 5459-93-8

Name: N-Ethylcyclohexylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	N-ethylcyclohexanamine
Description:	N-Ethylcyclohexylamine can be used in the synthesis of a series of isatin-N-Mannich bases.
Molecular Weight:	127.23
Molecular Formula:	C8H17N
Canonical SMILES:	CCNC1CCCCC1
InChI:	InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChI Key:	AGVKXDPPPSLISR-UHFFFAOYSA-N
Boiling Point:	165 °C
Melting Point:	-43 °C
Flash Point:	111 °F
Purity:	95 %
Density:	0.844 g/cm³
Solubility:	Slightly sol in water; sol in all prop in alcohol, Ether
Appearance:	A clear colorless liquid with an ammonia-like odor. floats on water and slightly soluble in water. vapors heavier than air. produces toxic oxides of nitrogen during combustion.
Storage:	Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
MDL:	MFCD00003834
LogP:	2.31950
Refractive Index:	1.452
Vapor Pressure:	2 mm Hg ( 20 °C)

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021127461-A1	Methods of synthesizing 4-valyloxybutyric acid	20191220
WO-2021123174-A1	Sigma-1 receptor ligands and therapeutic uses thereof	20191219
EP-3838981-A1	Reactive resin component, reactive resin system containing the same and use thereof	20191218
WO-2021122102-A1	Reactive resin component, reactive resin system containing same and use thereof	20191218
WO-2021113478-A1	Muscarinic receptor 4 antagonists and methods of use	20191206

PMID	Publication Date	Title	Journal
17924427	20080101	Chiral mono and diamide derivatives of calix[4]arene for enantiomeric recognition of chiral amines	Chirality
11478636	20010701	Enantioselective molecular sensing of aromatic amines using tetra-(S)-di-2-naphthylprolinol calix[4]arene	The Analyst

Complexity:	65
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.136099547
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.136099547
Rotatable Bond Count:	2
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2