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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 Weight:
131.175 g/mol
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
Identifiers:
SMILES:
NCCCCCC(=O)O
InChI:
InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 131.175 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 131.094628656 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.5901000000000001 | RDKit |
| molecular_mass | 131.18 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)CCCCCN None | Legacy Database |
| cas-inchi | InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9) None | Legacy Database |
| cas-inchi-key | InChIKey=SLXKOJJOQWFEFD-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 6-Aminohexanoic acid None | Legacy Database |
| cas-melting-point | 202-203 °C None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.158199999999994 | RDKit |