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(+)-1-Amino-2-Propanol
CAS: 2799-17-9 | C3H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2799-17-9
Molecular Formula:
C3H9NO
Molecular Mass:
75.11 g/mol
Names and Synonyms:
(+)-1-Amino-2-Propanol
2-Propanol, 1-amino-, (2S)-
2-Propanol, 1-amino-, L-(+)-
2-Propanol, 1-amino-, (S)-
(2S)-1-Amino-2-propanol
L-1-Amino-2-propanol
(+)-1-Amino-2-propanol
(S)-1-Amino-2-propanol
S-(+)-1-Amino-2-propanol
(S)-2-Hydroxypropylamine
(+)-(S)-1-Amino-2-propanol
(2-(S)-Hydroxypropyl)amine
(2S)-1-Aminopropan-2-ol
((S)-2-Hydroxypropan-1-yl)amine
(2S)-1-Aminopropan-2-ol
(2S)-2-Hydroxypropylamine
(S)-1-Aminopropan-2-ol
Identifiers:
SMILES:
C[C@H](O)CN
InChI:
InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m0/s1
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 | 75.11 g/mol | CAS Common Chemistry |
| 75.111 g/mol | RDKit | |
| 75.068413908 g/mol | RDKit | |
| Canonical SMILES | OC(C)CN | CAS Common Chemistry |
| InChI | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HXKKHQJGJAFBHI-VKHMYHEASA-N | CAS Common Chemistry |
| Name | (+)-1-Amino-2-propanol | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | -0.6741000000000001 | RDKit |
| Molar Refractivity | 20.735200000000003 | RDKit |
