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N-Methylol-Α-Chloroacetamide
CAS: 2832-19-1 | C3H6ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2832-19-1
Molecular Formula:
C3H6ClNO2
Molecular Mass:
123.54 g/mol
Names and Synonyms:
N-Methylol-Α-Chloroacetamide
Acetamide, 2-chloro-N-(hydroxymethyl)-
Acetamide, α-chloro-N-(hydroxymethyl)-
2-Chloro-N-(hydroxymethyl)acetamide
N-Methylol-2-chloroacetamide
N-Methylolchloracetamide
N-(Hydroxymethyl)-2-chloracetamide
α-Chloro-N-(hydroxymethyl)acetamide
N-(Hydroxymethyl)chloroacetamide
Chloro-N-(hydroxymethyl)acetamide
N-(Hydroxymethyl)-2-chloroacetamide
N-Methylol-α-chloroacetamide
N-Methylolchloroacetamide
N-Methylol-α-chloracetamide
NSC 9963
Identifiers:
SMILES:
OCN=C(O)CCl
InChI:
InChI=1S/C3H6ClNO2/c4-1-3(7)5-2-6/h6H,1-2H2,(H,5,7)
Key Properties
Melting Point
102 °C
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 | 123.54 g/mol | CAS Common Chemistry |
| 123.53899999999999 g/mol | RDKit | |
| 123.008706112 g/mol | RDKit | |
| Canonical SMILES | O=C(NCO)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C3H6ClNO2/c4-1-3(7)5-2-6/h6H,1-2H2,(H,5,7) | CAS Common Chemistry |
| InChI Key | InChIKey=TXNSZCSYBXHETP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 102 °C | CAS Common Chemistry |
| Name | N-Methylol-α-chloroacetamide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| LogP | 0.1314999999999999 | RDKit |
| Molar Refractivity | 27.869599999999995 | RDKit |
