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Molecule
N-(Hydroxymethyl)Acetamide
CAS: 625-51-4 · C3H7NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 625-51-4
- Molecular Formula
- C3H7NO2
- Molecular Mass
- 89.09 g/mol
Identifiers
CAS Registry Number
625-51-4
SMILES
CC(O)=NCO
InChI Key
HWJHZLJIIWOTGZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2/c1-3(6)4-2-5/h5H,2H2,1H3,(H,4,6)
Names and Synonyms
- N-(Hydroxymethyl)Acetamide Synonym
- Acetamide, N-(hydroxymethyl)- Synonym
- N-(Hydroxymethyl)acetamide Synonym
- Formicin Synonym
- N-Methylolacetamide Synonym
- Acetamidomethanol Synonym
- N-Monomethylolacetamide Synonym
- Monomethylolacetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.09 g/mol | CAS Common Chemistry |
| 89.094 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.024 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(NCO)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO2/c1-3(6)4-2-5/h5H,2H2,1H3,(H,4,6) | CAS Common Chemistry |
| InChI Key | InChIKey=HWJHZLJIIWOTGZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 56-57 °C @ Solvent: 1,4-Dioxane | CAS Common Chemistry |
| Name | N-(Hydroxymethyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | -0.08739999999999992 | RDKit |
| -0.0874 | RDKit | |
| Molar Refractivity | 22.823599999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 89.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 89.09 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7NO2.
