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2-Amino-2-Methylpropanenitrile
CAS: 19355-69-2 | C4H8N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
19355-69-2
Molecular Formula:
C4H8N2
Molecular Weight:
84.122 g/mol
Names and Synonyms:
2-Amino-2-Methylpropanenitrile
Common Name
α-Amino-α-methylpropionitrile
Synonym
Aminodimethylacetonitrile
Synonym
2-Aminopropane-2-carbonitrile
Synonym
2-Aminoisobutyronitrile
Synonym
2-Cyanoisopropylamine
Synonym
2-Amino-2-cyanopropane
Synonym
2-Amino-2-methylpropionitrile
Synonym
1-Cyano-1-methylethylamine
Synonym
α-Aminoisobutyronitrile
Synonym
2-Amino-2-methylpropanenitrile
Synonym
Propionitrile, 2-amino-2-methyl-
Synonym
Propanenitrile, 2-amino-2-methyl-
Synonym
Identifiers:
SMILES:
CC(C)(N)C#N
InChI:
InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 84.122 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 84.06874825599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.81 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.24728000000000006 | RDKit |
| molecular_mass | 84.12 g/mol | Legacy Database |
| density | 0.89 g/cm³ | Legacy Database |
| cas-boiling-point | 51-52 °C @ Press: 15 Torr None | Legacy Database |
| cas-canonical-smile | N#CC(N)(C)C None | Legacy Database |
| cas-density | 0.885 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JQULXIOYDDCNGR-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Amino-2-methylpropanenitrile None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.879399999999997 | RDKit |