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Chloroformamidine Hydrochloride
CAS: 29671-92-9 | CH4Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
29671-92-9
Molecular Formula:
CH4Cl2N2
Molecular Mass:
114.96 g/mol
Names and Synonyms:
Chloroformamidine Hydrochloride
Carbamimidic chloride, monohydrochloride
Formamidine, 1-chloro-, monohydrochloride
Chloroformamidine hydrochloride
1-Chloroformamidine hydrochloride
Chloroformamidinium chloride
Carbamimidic chloride hydrochloride
Identifiers:
SMILES:
Cl.N=C(N)Cl
InChI:
InChI=1S/CH3ClN2.ClH/c2-1(3)4;/h(H3,3,4);1H
Key Properties
Melting Point
130 °C (decomp) @ Solvent: Diethyl ether
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.96 g/mol | CAS Common Chemistry |
| 114.96300000000002 g/mol | RDKit | |
| 113.97515348799999 g/mol | RDKit | |
| Canonical SMILES | Cl.ClC(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/CH3ClN2.ClH/c2-1(3)4;/h(H3,3,4);1H | CAS Common Chemistry |
| InChI Key | InChIKey=FUQFHOLPJJETAP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 130 °C (decomp) @ Solvent: Diethyl ether | CAS Common Chemistry |
| Name | Chloroformamidine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 |
| LogP | 0.5404700000000001 | RDKit |
| Molar Refractivity | 25.015100000000004 | RDKit |
