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N,N′-Methanetetraylbis[2-Methyl-2-Propanamine]
CAS: 691-24-7 | C9H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
691-24-7
Molecular Formula:
C9H18N2
Molecular Mass:
154.26 g/mol
Names and Synonyms:
N,N′-Methanetetraylbis[2-Methyl-2-Propanamine]
2-Propanamine, N,N′-methanetetraylbis[2-methyl-
Carbodiimide, di-tert-butyl-
N,N′-Methanetetraylbis[2-methyl-2-propanamine]
N,N′-Di-tert-butylcarbodiimide
Di-tert-butylcarbodiimide
1,3-Di-tert-butylcarbodiimide
Bis(tert-butyl)carbodiimide
N,N′-Di-tert-butylmethanediimine
Identifiers:
SMILES:
CC(C)(C)N=C=NC(C)(C)C
InChI:
InChI=1S/C9H18N2/c1-8(2,3)10-7-11-9(4,5)6/h1-6H3
Key Properties
Boiling Point
47.5-48.5 °C @ Press: 10 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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6
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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 | 154.26 g/mol | CAS Common Chemistry |
| 154.257 g/mol | RDKit | |
| 154.146998576 g/mol | RDKit | |
| Boiling Point | 47.5-48.5 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | C(=NC(C)(C)C)=NC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H18N2/c1-8(2,3)10-7-11-9(4,5)6/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IDVWLLCLTVBSCS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N′-Methanetetraylbis[2-methyl-2-propanamine] | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.72 Ų | RDKit |
| LogP | 2.7573000000000016 | RDKit |
| Molar Refractivity | 49.36900000000003 | RDKit |
