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Molecule
Propanimidamide, 2,2-Dimethyl-, Hydrochloride (1:1)
CAS: 18202-73-8 · C5H13ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18202-73-8
- Molecular Formula
- C5H13ClN2
- Molecular Mass
- 136.63 g/mol
Identifiers
CAS Registry Number
18202-73-8
SMILES
CC(C)(C)C(=N)N.Cl
InChI Key
ARDGQYVTLGUJII-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2.ClH/c1-5(2,3)4(6)7;/h1-3H3,(H3,6,7);1H
Names and Synonyms
- Propanimidamide, 2,2-Dimethyl-, Hydrochloride (1:1) Synonym
- Propanimidamide, 2,2-dimethyl-, hydrochloride (1:1) Synonym
- Pivalamidine, monohydrochloride Synonym
- Propanimidamide, 2,2-dimethyl-, monohydrochloride Synonym
- Pivalamidine, hydrochloride Synonym
- 2,2-Dimethylpropionamidine hydrochloride Synonym
- tert-Butylcarbamidine hydrochloride Synonym
- tert-Butylamidinium chloride Synonym
- 2,2-Dimethylpropionimidamide hydrochloride Synonym
- tert-Butanecarboximidamide hydrochloride Synonym
- Pivalimidamide hydrochloride Synonym
- 2,2-Dimethylpropanamidine hydrochloride Synonym
- 1-Imino-2,2-dimethylpropan-1-aminium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.63 g/mol | CAS Common Chemistry |
| 136.626 g/mol | RDKit | |
| 136.623 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N=C(N)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2.ClH/c1-5(2,3)4(6)7;/h1-3H3,(H3,6,7);1H | CAS Common Chemistry |
| InChI Key | InChIKey=ARDGQYVTLGUJII-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 191-192 °C | CAS Common Chemistry |
| Name | Propanimidamide, 2,2-dimethyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.870000000000005 Ų | RDKit |
| 49.87 Ų | RDKit | |
| LogP | 1.39027 | RDKit |
| 1.3903 | RDKit | |
| Molar Refractivity | 38.61709999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 136.076726096 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 136.63 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13ClN2.
