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11-Aminoundecanoic Acid
CAS: 2432-99-7 | C11H23NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2432-99-7
Molecular Formula:
C11H23NO2
Molecular Mass:
201.31 g/mol
Names and Synonyms:
11-Aminoundecanoic Acid
Undecanoic acid, 11-amino-
11-Aminoundecanoic acid
NSC 240503
NSC 662428
Aminoundecanoic acid
Identifiers:
SMILES:
NCCCCCCCCCCC(=O)O
InChI:
InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)
Key Properties
Melting Point
191 °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 | 201.31 g/mol | CAS Common Chemistry |
| 201.30999999999997 g/mol | RDKit | |
| 201.172878976 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/11-Aminoundecanoic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=GUOSQNAUYHMCRU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 191 °C | CAS Common Chemistry |
| Name | Aminoundecanoic acid | CAS Common Chemistry |
| 11-Aminoundecanoic acid | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | 2.5406000000000004 | RDKit |
| Molar Refractivity | 58.24320000000004 | RDKit |
