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| CAS No.: | 25726-28-7 |
|---|---|
| Name: | 5-(DIMETHYLAMINO)-PENTANOIC ACID HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C7H16ClNO2 |
| Molecular Weight: | 181.663 |
| Synonyms: | Pentanoic acid,5-(dimethylamino)-, hydrochloride (9CI);Valeric acid, 5-(dimethylamino)-,hydrochloride (7CI,8CI); |
| Boiling Point: | 273.4 °C at 760 mmHg |
| Flash Point: | 119.1 °C |
| PSA: | 40.54000 |
| LogP: | 1.60490 |
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Specification
The Pentanoic acid,5-(dimethylamino)-, hydrochloride (1:1) is an organic compound with the formula C7H16ClNO2. With the CAS registry number 25726-28-7, the systematic name of this chemical is 5-(dimethylamino)pentanoic acid hydrochloride.
Physical properties about Pentanoic acid,5-(dimethylamino)-, hydrochloride (1:1) are: (1)ACD/LogP: 0.39; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 40.54 Å2; (6)Flash Point: 119.1 °C; (7)Enthalpy of Vaporization: 56.32 kJ/mol; (8)Boiling Point: 273.4 °C at 760 mmHg; (9)Vapour Pressure: 0.00159 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)CCCCC(O)=O.Cl
(2)InChI: InChI=1/C7H15NO2.ClH/c1-8(2)6-4-3-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
(3)InChIKey: HOHQBFGGPNOAFB-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H15NO2.ClH/c1-8(2)6-4-3-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
(5)Std. InChIKey: HOHQBFGGPNOAFB-UHFFFAOYSA-N