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2-Amino-2-Methylpropanenitrile
CAS: 19355-69-2 | C4H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19355-69-2
Molecular Formula:
C4H8N2
Molecular Mass:
84.12 g/mol
Names and Synonyms:
2-Amino-2-Methylpropanenitrile
Propanenitrile, 2-amino-2-methyl-
Propionitrile, 2-amino-2-methyl-
2-Amino-2-methylpropanenitrile
α-Aminoisobutyronitrile
1-Cyano-1-methylethylamine
2-Amino-2-methylpropionitrile
2-Amino-2-cyanopropane
2-Cyanoisopropylamine
2-Aminoisobutyronitrile
2-Aminopropane-2-carbonitrile
Aminodimethylacetonitrile
α-Amino-α-methylpropionitrile
Identifiers:
SMILES:
CC(C)(N)C#N
InChI:
InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3
Key Properties
Boiling Point
51-52 °C @ Press: 15 Torr
CAS Common Chemistry
Density
0.89 g/cm³
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 | 84.12 g/mol | CAS Common Chemistry |
| 84.122 g/mol | RDKit | |
| 84.06874825599999 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.885 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 51-52 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | N#CC(N)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JQULXIOYDDCNGR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Amino-2-methylpropanenitrile | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.81 Ų | RDKit |
| LogP | 0.24728000000000006 | RDKit |
| Molar Refractivity | 23.879399999999997 | RDKit |
