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1,1-Dimethylethyl N,N′-Bis(1-Methylethyl)Carbamimidate
CAS: 71432-55-8 | C11H24N2O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
71432-55-8
Molecular Formula:
C11H24N2O
Molecular Mass:
200.33 g/mol
Names and Synonyms:
1,1-Dimethylethyl N,N′-Bis(1-Methylethyl)Carbamimidate
Carbamimidic acid, N,N′-bis(1-methylethyl)-, 1,1-dimethylethyl ester
1,1-Dimethylethyl N,N′-bis(1-methylethyl)carbamimidate
O-tert-Butyl-N,N′-diisopropylisourea
N,N′-Diisopropyl-O-tert-butylisourea
2-tert-Butyl-1,3-diisopropylpseudourea
2-tert-Butyl-1,3-diisopropylisourea
tert-Butyl N,N′-dipropan-2-ylcarbamimidate
Identifiers:
SMILES:
CC(C)N=C(NC(C)C)OC(C)(C)C
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)
Key Properties
Boiling Point
86 °C @ Press: 0.24 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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3
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.33 g/mol | CAS Common Chemistry |
| 200.32599999999996 g/mol | RDKit | |
| 200.188863388 g/mol | RDKit | |
| Boiling Point | 86 °C @ Press: 0.24 Torr | CAS Common Chemistry |
| 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 |
| LogP | 2.563900000000001 | RDKit |
| Molar Refractivity | 61.68070000000005 | RDKit |
