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2-Amino-2-Methyl-1,3-Propanediol
CAS: 115-69-5 | C4H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
115-69-5
Molecular Formula:
C4H11NO2
Molecular Mass:
105.14 g/mol
Names and Synonyms:
2-Amino-2-Methyl-1,3-Propanediol
1,3-Propanediol, 2-amino-2-methyl-
2-Amino-2-methyl-1,3-propanediol
Aminoglycol
AMPD
1,1-Di(hydroxymethyl)ethylamine
1,3-Dihydroxy-2-amino-2-methylpropane
1,3-Dihydroxy-2-methyl-2-propylamine
2-Methyl-2-amino-1,3-propanediol
Amediol
Ammediol
Bis
2-Amino-2-methylpropan-1,3-diol
NSC 6364
AMPD Ultra PC
2-Amino-2-methyl-1,3-propanol
2-Amino-2-methylpropane-l,3-diol
Identifiers:
SMILES:
CC(N)(CO)CO
InChI:
InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
Key Properties
Boiling Point
151-152 °C
CAS Common Chemistry
Melting Point
110 °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 | 105.14 g/mol | CAS Common Chemistry |
| 105.13699999999999 g/mol | RDKit | |
| 105.078978592 g/mol | RDKit | |
| Boiling Point | 151-152 °C | CAS Common Chemistry |
| Canonical SMILES | OCC(N)(C)CO | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UXFQFBNBSPQBJW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110 °C | CAS Common Chemistry |
| Name | 2-Amino-2-methyl-1,3-propanediol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.48 Ų | RDKit |
| LogP | -1.3116 | RDKit |
| Molar Refractivity | 26.763999999999996 | RDKit |
