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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 Weight:
136.626 g/mol
Names and Synonyms:
Propanimidamide, 2,2-Dimethyl-, Hydrochloride (1:1)
Propanimidamide, 2,2-dimethyl-, hydrochloride (1:1)
Pivalamidine, monohydrochloride
Propanimidamide, 2,2-dimethyl-, monohydrochloride
Pivalamidine, hydrochloride
2,2-Dimethylpropionamidine hydrochloride
tert-Butylcarbamidine hydrochloride
tert-Butylamidinium chloride
2,2-Dimethylpropionimidamide hydrochloride
tert-Butanecarboximidamide hydrochloride
Pivalimidamide hydrochloride
2,2-Dimethylpropanamidine hydrochloride
1-Imino-2,2-dimethylpropan-1-aminium chloride
Identifiers:
SMILES:
CC(C)(C)C(=N)N.Cl
InChI:
InChI=1S/C5H12N2.ClH/c1-5(2,3)4(6)7;/h1-3H3,(H3,6,7);1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 136.626 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.076726096 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 49.870000000000005 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.39027 | RDKit |
| molecular_mass | 136.63 g/mol | Legacy Database |
| cas-canonical-smile | Cl.N=C(N)C(C)(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C5H12N2.ClH/c1-5(2,3)4(6)7;/h1-3H3,(H3,6,7);1H None | Legacy Database |
| cas-inchi-key | InChIKey=ARDGQYVTLGUJII-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 191-192 °C None | Legacy Database |
| cas-name | Propanimidamide, 2,2-dimethyl-, hydrochloride (1:1) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.61709999999999 | RDKit |
