Basic information
- Standard SMILES
C1CCC(N=C(NC2CCCCC2)N2CCOCC2)CC1- InChIKey
OZNYZQOTXQSUJM-UHFFFAOYSA-N- Molecular formula
- C17H31N3O
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.24671262
Names & identifiers
- Preferred name
- N,N'-dicyclohexyl-4-morpholinecarboxamidine
- IUPAC
- N,N'-dicyclohexylmorpholine-4-carboximidamide
- English name
- N,N'-Dicyclohexyl-4-morpholinecarboxamidine
- Molecular formula
- C17H31N3O
- Molecular weight
- 293.45
Names & synonyms
4975-73-9N,N'-Dicyclohexyl-4-morpholinecarboxamidine4-Morpholinecarboximidamide, N,N'-dicyclohexyl-DTXSID60198013U-18177RefChem:821890DTXCID90120504225-622-1N,N'-dicyclohexylmorpholine-4-carboximidamideN,N'-Dicyclohexyl-4-morpholine carboxamidineN,N'-Dicyclohexylmorpholine-4-carboxamidineC17H31N3O
Show more names
u18177N,N′-Dicyclohexyl-4-Cefalexin Impurity 27LABOTEST-BB LT001595964-(N,NDICYCLOHEXYLAMIDINO)MORPHOLINEDicyclohexyl-4-morpholinecarboxamidinen,n’-dicyclohexyl-1-morpholinoformamidinen,n’-dicyclohexyl-1-morpholino-formamidin4-Morpholino-N,N'-dicyclohexylcarboxamidine
MFCD00063252(Z)-N,N'-dicyclohexylmorpholine-4-carboximidamideN,N'-Dicyclohexyl-1-morpholinoformamidineN,N'-Dicyclohexyl-morpholine-4-carboxamidineFORMAMIDINE, N,N'-DICYCLOHEXYL-1-MORPHOLINO-NSC671971351753-99-54-Morpholinecarboximidamide,N'-dicyclohexyl-
Database identifiers
- CAS
4975-73-9- PubChem CID
- 21079
- DTXSID
DTXSID60198013- ChEMBL
CHEMBL123456- EC Number
- 225-622-1
- Nikkaji
- J24.472D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 105 · 105-107 °C(lit.)
- Boiling point
- 423.2 · 423.2±55.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 11.85 · 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 · 4975-73-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-24/25
- WGK Germany
- 3 · 3
- RTECS
- 4566500 · LQ4566500
- HazardClass
- IRRITANT
- HS Code
- 29349990 · 29349990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (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 exposure; Respiratory 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 information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- wgk
- 3
- rtecs
- LQ4566500
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesN,N′-Dicyclohexyl-4-morpholinecarboxamidine was used as reagent in the synthesis of alkoxyalkyl analogs of nucleotide phosphonates, cidofovir and cyclic cidofovir.
General DescriptionN,N′-Dicyclohexyl-4-morpholinecarboxamidine is kidney-selective ATP-sensitive potassium blocker. It is an an orally effective nonkaliuretic diuretic in rats.
Preparation methods
PreparationN,N'-Dicyclohexyl-4-morpholinecarboxamidine is easily prepared by refluxing morpholine and 1,3-Dicyclohexylcarbodiimide.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
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Related reactions
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