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N-[Tris(Hydroxymethyl)Methyl]Acrylamide
CAS: 13880-05-2 | C7H13NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13880-05-2
Molecular Formula:
C7H13NO4
Molecular Mass:
175.18 g/mol
Names and Synonyms:
N-[Tris(Hydroxymethyl)Methyl]Acrylamide
2-Propenamide, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-
Acrylamide, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-
N-[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]-2-propenamide
2-Acrylamido-2-(hydroxymethyl)-1,3-propanediol
Tris(hydroxymethyl)acrylamidomethane
N-[Tris(hydroxymethyl)methyl]acrylamide
N-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]acrylamide
N-[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]propenamide
Identifiers:
SMILES:
C=CC(O)=NC(CO)(CO)CO
InChI:
InChI=1S/C7H13NO4/c1-2-6(12)8-7(3-9,4-10)5-11/h2,9-11H,1,3-5H2,(H,8,12)
Key Properties
Melting Point
131-133 °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 | 175.18 g/mol | CAS Common Chemistry |
| 175.184 g/mol | RDKit | |
| 175.084457896 g/mol | RDKit | |
| Canonical SMILES | O=C(C=C)NC(CO)(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO4/c1-2-6(12)8-7(3-9,4-10)5-11/h2,9-11H,1,3-5H2,(H,8,12) | CAS Common Chemistry |
| InChI Key | InChIKey=MVBJSQCJPSRKSW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131-133 °C | CAS Common Chemistry |
| Name | N-[Tris(hydroxymethyl)methyl]acrylamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 93.28000000000002 Ų | RDKit |
| LogP | -1.1554 | RDKit |
| Molar Refractivity | 44.249200000000016 | RDKit |
