N,N'-Dicyclohexylmorpholin-4-carboxamidin

N,N'-dicyclohexyl-4-morpholinecarboxamidine

HCID 21079

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Grundinformationen

CAS: 4975-73-9
Standard-SMILES: C1CCC(N=C(NC2CCCCC2)N2CCOCC2)CC1
InChIKey: OZNYZQOTXQSUJM-UHFFFAOYSA-N
Summenformel: C17H31N3O
Durchschnittliche Molmasse: 293,4 g/mol
Monoisotopische Masse: 293,24671262

Namen und Bezeichner

Bevorzugter Name: N,N'-dicyclohexyl-4-morpholinecarboxamidine
IUPAC: N,N'-dicyclohexylmorpholine-4-carboximidamide
Lokaler Name: N,N'-Dicyclohexylmorpholin-4-carboxamidin
Englischer Name: N,N'-Dicyclohexyl-4-morpholinecarboxamidine
Summenformel: C17H31N3O
Molmasse: 293.45

Namen und Synonyme

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

Weitere Namen anzeigen

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-

Datenbank-Bezeichner

CAS: 4975-73-9
PubChem CID: 21079
DTXSID: DTXSID60198013
ChEMBL: CHEMBL123456
EC Number: 225-622-1
Nikkaji: J24.472D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 36,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 21
Formalladung: 0
Komplexität: 327

Physikochemische Eigenschaften

Schmelzpunkt: 105 · 105-107 °C(lit.)
Siedepunkt: 423.2 · 423.2±55.0 °C(Predicted)
Dichte: 1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 11.85 · 11.85±0.20(Predicted)
Farbe: 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 Datenbank: 4975 · 4975-73-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
RTECS-Nr.: LQ4566500
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

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