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Molecule
N,N′-Methanetetraylbis[2-Methyl-2-Propanamine]
CAS: 691-24-7 · C9H18N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 691-24-7
- Molecular Formula
- C9H18N2
- Molecular Mass
- 154.26 g/mol
Identifiers
CAS Registry Number
691-24-7
SMILES
CC(C)(C)N=C=NC(C)(C)C
InChI Key
IDVWLLCLTVBSCS-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N2/c1-8(2,3)10-7-11-9(4,5)6/h1-6H3
Names and Synonyms
- N,N′-Methanetetraylbis[2-Methyl-2-Propanamine] Systematic Name
- 2-Propanamine, N,N′-methanetetraylbis[2-methyl- Synonym
- Carbodiimide, di-tert-butyl- Synonym
- N,N′-Methanetetraylbis[2-methyl-2-propanamine] Synonym
- N,N′-Di-tert-butylcarbodiimide Synonym
- Di-tert-butylcarbodiimide Synonym
- 1,3-Di-tert-butylcarbodiimide Synonym
- Bis(tert-butyl)carbodiimide Synonym
- N,N′-Di-tert-butylmethanediimine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.26 g/mol | CAS Common Chemistry |
| 154.257 g/mol | RDKit | |
| 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 |
| 2.7573 | RDKit | |
| 2.49 | chempirical lib | |
| Molar Refractivity | 49.36900000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 154.146998576 g/mol | RDKit |
| Boiling Point | 47.5-48.5 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
External Resources
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MW = 154.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H18N2.
