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Aminomethyl Propanol
CAS: 124-68-5 | C4H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-68-5
Molecular Formula:
C4H11NO
Molecular Weight:
89.13799999999999 g/mol
Names and Synonyms:
Aminomethyl Propanol
AMP-Ultra PC
CE 64
Dolapix A 88
AMP buffer
AMP-Ultra PC 1000
AMP-ULTRA PC 2000
1-Hydroxy-2-methylpropan-2-amine
AMP 100
Pamabron
AMP 90
AMP 90 (amine)
NSC 441
AMP 75
Corrguard 75
KV 5088
AMP (thinner)
AMP
2-Hydroxy-1,1-dimethylethylamine
2,2-Dimethylethanolamine
AMP 95
AMP Regular
2-Amino-1-hydroxy-2-methylpropane
2-Hydroxymethyl-2-propylamine
Hydroxy-tert-butylamine
2-Amino-2,2-dimethylethanol
2-Methyl-2-amino-1-propanol
1,1-Dimethyl-2-hydroxyethylamine
2-Aminoisobutanol
2-Methyl-2-aminopropanol
Isobutanol-2-amine
2-Amino-2-methylpropanol
β-Aminoisobutanol
2-Amino-2-methyl-1-propanol
1-Propanol, 2-amino-2-methyl-
Identifiers:
SMILES:
CC(C)(N)CO
InChI:
InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 89.14 g/mol | Legacy Database |
| density | 0.93 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Aminomethyl_propanol None | Legacy Database |
| cas-boiling-point | 165 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | OCC(N)(C)C None | Legacy Database |
| cas-density | 0.934 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=CBTVGIZVANVGBH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 31 °C None | Legacy Database |
| cas-name | 2-Amino-2-methyl-1-propanol None | Legacy Database |
| wikipedia-name | Aminomethyl propanol None | Legacy Database |
| LogP | -0.2840000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 89.13799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 89.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.25 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.352199999999996 | RDKit |
