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Molecule
1,1-Dimethylethyl N,N′-Bis(1-Methylethyl)Carbamimidate
CAS: 71432-55-8 · C11H24N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 71432-55-8
- Molecular Formula
- C11H24N2O
- Molecular Mass
- 200.33 g/mol
Identifiers
CAS Registry Number
71432-55-8
SMILES
CC(C)N=C(NC(C)C)OC(C)(C)C
InChI Key
FESDUDPSRMWIDL-UHFFFAOYSA-N
InChI
InChI=1S/C11H24N2O/c1-8(2)12-10(13-9(3)4)14-11(5,6)7/h8-9H,1-7H3,(H,12,13)
Names and Synonyms
- 1,1-Dimethylethyl N,N′-Bis(1-Methylethyl)Carbamimidate Synonym
- Carbamimidic acid, N,N′-bis(1-methylethyl)-, 1,1-dimethylethyl ester Synonym
- 1,1-Dimethylethyl N,N′-bis(1-methylethyl)carbamimidate Synonym
- O-tert-Butyl-N,N′-diisopropylisourea Synonym
- N,N′-Diisopropyl-O-tert-butylisourea Synonym
- 2-tert-Butyl-1,3-diisopropylpseudourea Synonym
- 2-tert-Butyl-1,3-diisopropylisourea Synonym
- tert-Butyl N,N′-dipropan-2-ylcarbamimidate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.33 g/mol | CAS Common Chemistry |
| 200.32599999999996 g/mol | RDKit | |
| 200.326 g/mol | RDKit | |
| Canonical SMILES | N(=C(OC(C)(C)C)NC(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H24N2O/c1-8(2)12-10(13-9(3)4)14-11(5,6)7/h8-9H,1-7H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=FESDUDPSRMWIDL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dimethylethyl N,N′-bis(1-methylethyl)carbamimidate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 33.620000000000005 Ų | RDKit |
| 33.62 Ų | RDKit | |
| LogP | 2.563900000000001 | RDKit |
| 2.5639 | RDKit | |
| Molar Refractivity | 61.68070000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9091 | RDKit |
| 0.91 | chempirical lib | |
| Exact Mass | 200.188863388 g/mol | RDKit |
| Boiling Point | 86 °C @ 0.24 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 200.33 g/mol. Edit any field — others recompute live.
