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Molecule
Cyclopropanamine, 1-Methyl-, Hydrochloride (1:1)
CAS: 88887-87-0 · C4H10ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 88887-87-0
- Molecular Formula
- C4H10ClN
- Molecular Mass
- 107.58 g/mol
Identifiers
CAS Registry Number
88887-87-0
SMILES
CC1(N)CC1.Cl
InChI Key
GHILZUOTUJGCDH-UHFFFAOYSA-N
InChI
InChI=1S/C4H9N.ClH/c1-4(5)2-3-4;/h2-3,5H2,1H3;1H
Names and Synonyms
- Cyclopropanamine, 1-Methyl-, Hydrochloride (1:1) Systematic Name
- Cyclopropanamine, 1-methyl-, hydrochloride (1:1) Synonym
- Cyclopropanamine, 1-methyl-, hydrochloride Synonym
- 1-Methylcyclopropylamine hydrochloride Synonym
- 1-Methyl-1-cyclopropanamine hydrochloride Synonym
- 1-Methylcyclopropanamine hydrochloride Synonym
- 1-Methylcyclopropanaminium chloride Synonym
- 1-Methylcyclopropaneamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 107.58 g/mol | CAS Common Chemistry |
| 107.584 g/mol | RDKit | |
| 107.581 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NC1(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H9N.ClH/c1-4(5)2-3-4;/h2-3,5H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=GHILZUOTUJGCDH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 204-205 °C @ Solvent: Ethyl acetate, Methanol | CAS Common Chemistry |
| Name | Cyclopropanamine, 1-methyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.9194000000000002 | RDKit |
| 0.9194 | RDKit | |
| Molar Refractivity | 29.074399999999994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 107.05017699999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 107.58 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10ClN.
