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Molecule
N,N′-Dicyclohexyl-4-Morpholinecarboxamidine
CAS: 4975-73-9 · C17H31N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4975-73-9
- Molecular Formula
- C17H31N3O
- Molecular Mass
- 293.46 g/mol
Identifiers
CAS Registry Number
4975-73-9
SMILES
C1CCC(N=C(NC2CCCCC2)N2CCOCC2)CC1
InChI Key
OZNYZQOTXQSUJM-UHFFFAOYSA-N
InChI
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)
Names and Synonyms
- N,N′-Dicyclohexyl-4-Morpholinecarboxamidine Systematic Name
- 4-Morpholinecarboximidamide, N,N′-dicyclohexyl- Synonym
- 4-Morpholinecarboxamidine, N,N′-dicyclohexyl- Synonym
- N,N′-Dicyclohexyl-4-morpholinecarboximidamide Synonym
- N,N′-Dicyclohexyl-4-morpholinecarboxamidine Synonym
- 4-Morpholino-N,N′-dicyclohexylcarboxamidine Synonym
- Morpholino-N,N′-dicyclohexylcarboxamidine Synonym
- 4-Morpholine-N,N′-dicyclohexylcarboxamidine Synonym
- U 18177 Synonym
- NSC 67197 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 293.46 g/mol | CAS Common Chemistry |
| 293.45500000000004 g/mol | RDKit | |
| 293.455 g/mol | RDKit | |
| Canonical SMILES | N(=C(NC1CCCCC1)N2CCOCC2)C3CCCCC3 | CAS Common Chemistry |
| InChI | 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) | CAS Common Chemistry |
| InChI Key | InChIKey=OZNYZQOTXQSUJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N′-Dicyclohexyl-4-morpholinecarboxamidine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.86 Ų | RDKit |
| 36.63 Ų | chempirical lib | |
| LogP | 2.9296000000000015 | RDKit |
| 2.9296 | RDKit | |
| Molar Refractivity | 86.70870000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9412 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 293.246712612 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 293.46 g/mol. Edit any field — others recompute live.
