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Molecule
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 Mass
- 84.12 g/mol
Identifiers
CAS Registry Number
19355-69-2
SMILES
CC(C)(N)C#N
InChI Key
JQULXIOYDDCNGR-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3
Names and Synonyms
- 2-Amino-2-Methylpropanenitrile Systematic Name
- Propanenitrile, 2-amino-2-methyl- Synonym
- Propionitrile, 2-amino-2-methyl- Synonym
- 2-Amino-2-methylpropanenitrile Synonym
- α-Aminoisobutyronitrile Synonym
- 1-Cyano-1-methylethylamine Synonym
- 2-Amino-2-methylpropionitrile Synonym
- 2-Amino-2-cyanopropane Synonym
- 2-Cyanoisopropylamine Synonym
- 2-Aminoisobutyronitrile Synonym
- 2-Aminopropane-2-carbonitrile Synonym
- Aminodimethylacetonitrile Synonym
- α-Amino-α-methylpropionitrile Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 84.12 g/mol | CAS Common Chemistry |
| 84.122 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.885 g/cm3 @ 25 °C | 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 |
| 0.2473 | RDKit | |
| Molar Refractivity | 23.879399999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 84.06874825599999 g/mol | RDKit |
| Boiling Point | 51-52 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 84.12 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8N2.
