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7-Aminoheptanoic Acid
CAS: 929-17-9 | C7H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
929-17-9
Molecular Formula:
C7H15NO2
Molecular Mass:
145.20 g/mol
Names and Synonyms:
7-Aminoheptanoic Acid
Heptanoic acid, 7-amino-
7-Aminoheptanoic acid
ω-Aminoheptanoic acid
7-Aminoenanthic acid
ω-Aminoenanthic acid
ζ-Aminoenanthic acid
NSC 59008
Identifiers:
SMILES:
NCCCCCCC(=O)O
InChI:
InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)
Key Properties
Melting Point
186-187 °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 | 145.20 g/mol | CAS Common Chemistry |
| 145.202 g/mol | RDKit | |
| 145.11027872 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=XDOLZJYETYVRKV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 186-187 °C | CAS Common Chemistry |
| Name | 7-Aminoheptanoic acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | 0.9802 | RDKit |
| Molar Refractivity | 39.775200000000005 | RDKit |
