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5-Aminovaleric Acid Hydrochloride
CAS: 627-95-2 | C5H12ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
627-95-2
Molecular Formula:
C5H12ClNO2
Molecular Mass:
153.61 g/mol
Names and Synonyms:
5-Aminovaleric Acid Hydrochloride
Pentanoic acid, 5-amino-, hydrochloride (1:1)
Valeric acid, 5-amino-, hydrochloride
Pentanoic acid, 5-amino-, hydrochloride
δ-Aminovaleric acid hydrochloride
5-Aminovaleric acid hydrochloride
5-Aminopentanoic acid hydrochloride
Identifiers:
SMILES:
Cl.NCCCCC(=O)O
InChI:
InChI=1S/C5H11NO2.ClH/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H,7,8);1H
Key Properties
Boiling Point
131-132 °C @ Press: 3 Torr
CAS Common Chemistry
Melting Point
92 °C
CAS Common Chemistry
Density
1.10 g/cm³
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 | 153.61 g/mol | CAS Common Chemistry |
| 153.609 g/mol | RDKit | |
| 153.055656304 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0962 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 131-132 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl.O=C(O)CCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO2.ClH/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H,7,8);1H | CAS Common Chemistry |
| InChI Key | InChIKey=BLOIUFYKQCCAGP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92 °C | CAS Common Chemistry |
| Name | 5-Aminovaleric acid hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | 0.6218000000000001 | RDKit |
| Molar Refractivity | 37.7892 | RDKit |
