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Molecule
6-Aminohexanoic Acid
CAS: 60-32-2 · C6H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 60-32-2
- Molecular Formula
- C6H13NO2
- Molecular Mass
- 131.18 g/mol
Identifiers
CAS Registry Number
60-32-2
SMILES
NCCCCCC(=O)O
InChI Key
SLXKOJJOQWFEFD-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
Names and Synonyms
- 6-Aminohexanoic Acid Synonym
- Hexanoic acid, 6-amino- Synonym
- Caproic acid, ε-amino- Synonym
- 6-Aminohexanoic acid Synonym
- CY 116 Synonym
- 177 J.D. Synonym
- CL 10304 Synonym
- ACS Synonym
- Amicar Synonym
- ε-Aminocaproic acid Synonym
- ω-Aminocaproic acid Synonym
- ε-Aminohexanoic acid Synonym
- Caprocid Synonym
- EACA Synonym
- Epsilon S Synonym
- Hemocaprol Synonym
- 6-Aminocaproic acid Synonym
- Aminokapron Synonym
- ε-Leucine Synonym
- Acepramine Synonym
- Acepramin Synonym
- ω-Aminohexanoic acid Synonym
- Epsilcapramin Synonym
- Ipsilon Synonym
- Capramol Synonym
- EACS Synonym
- Afibrin Synonym
- Epsamon Synonym
- Hepin Synonym
- ε-Norleucine Synonym
- Amikar Synonym
- Caprolisin Synonym
- Respramin Synonym
- Caplamin Synonym
- Hemopar Synonym
- Epsicapron Synonym
- Epsikapron Synonym
- ε-Amino-n-hexanoic acid Synonym
- 6-Amino-n-hexanoic acid Synonym
- NSC 26154 Synonym
- NSC 212532 Synonym
- NSC 400230 Synonym
- Acikaprin Synonym
- A 14719 Synonym
- ε-Amino-n-caproic acid Synonym
- AN 0064-1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 131.18 g/mol | CAS Common Chemistry |
| 131.175 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=SLXKOJJOQWFEFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 202-203 °C | CAS Common Chemistry |
| Name | 6-Aminohexanoic acid | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| 63.32 Ų | RDKit | |
| LogP | 0.5901000000000001 | RDKit |
| 0.5901 | RDKit | |
| Molar Refractivity | 35.158199999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 131.094628656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 131.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H13NO2.
