N,N'-dicyclohexyl-4-morpholinecarboxamidine

u18177 · N,N′-Dicyclohexyl-4- · Cefalexin Impurity 27 · LABOTEST-BB LT00159596 · 4-(N,NDICYCLOHEXYLAMIDINO)MORPHOLINE · Dicyclohexyl-4-morpholinecarboxamidine · n,n’-dicyclohexyl-1-morpholinoformamidine · n,n’-dicyclohexyl-1-morpholino-formamidin

https://huagongshe.com/en/chemical/21079

N,N'-dicyclohexyl-4-morpholinecarboxamidine molecular structure

Identifiers & Physical Properties

CAS No.	4975-73-9
Molecular formula	C17H31N3O
Average molar mass	293.4 g/mol
Monoisotopic mass	293.24671262 g/mol
SMILES	C1CCC(N=C(NC2CCCCC2)N2CCOCC2)CC1
InChIKey	OZNYZQOTXQSUJM-UHFFFAOYSA-N
PubChem CID	21079
ChEMBL	CHEMBL123456
EC No.	225-622-1
DTXSID	DTXSID60198013

Chemical & Physical Properties

XLogP	2.9
Topological polar surface area	36.9
Hydrogen bond donors	1
Hydrogen bond acceptors	2
Rotatable bonds	4
Heavy atoms	21
Formal charge	0
Complexity	327
Melting point	105-107 °C(lit.)
Boiling point	423.2±55.0 °C(Predicted)
Density	1.18±0.1 g/cm3(Predicted)
Storage conditions	Keep in dark place,Sealed in dry,Room Temperature
Solubility	soluble in Methanol
Physical state	powder to crystal
pKa (acidity coefficient)	11.85±0.20(Predicted)
Color	White to Almost white
InChI	1S/C17H31N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,19)
InChIKey	OZNYZQOTXQSUJM-UHFFFAOYSA-N
SMILES	C1CCC(CC1)N\C(=N\C2CCCCC2)N3CCOCC3
CAS DataBase Reference	4975-73-9(CAS DataBase Reference)
EWG's Food Scores	1
UNSPSC Code	12352100
NACRES	NA.22
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P261-P264-P271-P280-P302+P352-P305+P351+P338
Target organs	Respiratory system
Hazard symbols	Xi
Risk statements (R)	36/37/38
Safety statements (S)	26-24/25
Water hazard class (WGK)	3
RTECS number	LQ4566500
Hazard class	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
Customs code	29349990
Storage class	11 - Combustible Solids

Safety & Regulations

GHS classification	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
Water hazard class (WGK)	3
RTECS number	LQ4566500
Customs code	29349990
Risk statements (R)	36/37/38
Signal word	Warning
GHS pictogram	GHS07
Hazard symbols	Xi
Safety statements (S)	26-24/25
Hazard class	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
Storage class	11 - Combustible Solids
Target organs	Respiratory system
GHS hazard statements	H315-H319-H335

Applications & Uses

Uses

N,N′-Dicyclohexyl-4-morpholinecarboxamidine was used as reagent in the synthesis of alkoxyalkyl analogs of nucleotide phosphonates, cidofovir and cyclic cidofovir.

General Description

N,N′-Dicyclohexyl-4-morpholinecarboxamidine is kidney-selective ATP-sensitive potassium blocker. It is an an orally effective nonkaliuretic diuretic in rats.

Preparation & Synthesis

Preparation

N,N'-Dicyclohexyl-4-morpholinecarboxamidine is easily prepared by refluxing morpholine and 1,3-Dicyclohexylcarbodiimide.