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N,N'-Diisopropylcarbodiimide
CAS: 693-13-0 | C7H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
693-13-0
Molecular Formula:
C7H14N2
Molecular Mass:
126.20 g/mol
Names and Synonyms:
N,N'-Diisopropylcarbodiimide
2-Propanamine, N,N′-methanetetraylbis-
Carbodiimide, diisopropyl-
N,N′-Methanetetraylbis[2-propanamine]
N,N′-Diisopropylcarbodiimide
Diisopropylcarbodiimide
1,3-Diisopropylcarbodiimide
DIC
DIPC
NSC 42080
DIPCDI
DIPCI
N,N′-Diisopropylmethanediimine
(Propan-2-yl)([[(propan-2-yl)imino]methylidene])amine
Identifiers:
SMILES:
CC(C)N=C=NC(C)C
InChI:
InChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3
Key Properties
Boiling Point
147 °C
CAS Common Chemistry
Melting Point
147 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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 | 126.20 g/mol | CAS Common Chemistry |
| 126.20299999999999 g/mol | RDKit | |
| 126.11569844799999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N,N%27-Diisopropylcarbodiimide | CAS Common Chemistry |
| Boiling Point | 147 °C | CAS Common Chemistry |
| Canonical SMILES | C(=NC(C)C)=NC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BDNKZNFMNDZQMI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 147 °C | CAS Common Chemistry |
| Name | Diisopropylcarbodiimide | CAS Common Chemistry |
| N,N'-Diisopropylcarbodiimide | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.72 Ų | RDKit |
| LogP | 1.9771 | RDKit |
| Molar Refractivity | 40.135000000000005 | RDKit |
