chempirical

5-Aminovaleric acid hydrochloride

C5H12ClNO2CAS 627-95-2153.61 g/mol

Open in Covalent MOL file
HClH2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C5H12ClNO2
Molar mass
153.61 g/mol
Exact mass
153.0557 Da
Density
1.0962 g/mL (at 20 °C)
Melting point
92 °C
Boiling point
131–132 °C (at 3 Torr)
logP
0.62Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
627-95-2
SMILES
Cl.NCCCCC(=O)O
InChIKey
BLOIUFYKQCCAGP-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2.ClH/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H,7,8);1H

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names
  • Pentanoic acid, 5-amino-, hydrochloride (1:1)
  • Valeric acid, 5-amino-, hydrochloride
  • Pentanoic acid, 5-amino-, hydrochloride
  • δ-Aminovaleric acid hydrochloride
  • 5-Aminopentanoic acid hydrochloride

Work with 5-Aminovaleric acid hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-Aminoheptanoic acid hydrochloride62643-56-596 % similar 5-Aminovaleric acid660-88-887 % similar 8-Aminooctanoic acid1002-57-983 % similar 11-Aminoundecanoic acid2432-99-783 % similar 6-Aminohexanoic acid60-32-283 % similar 12-Aminododecanoic acid693-57-283 % similar 7-Aminoheptanoic acid929-17-983 % similar β-Alanine107-95-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-Alanine ethyl ester hydrochloride1115-59-9 Methyl 4-aminobutyrate hydrochloride13031-60-2 (2S)-Morpholin-2-ylmethanol hydrochloride1313584-92-7 Propan-2-yl 2-aminoacetate hydrochloride14019-62-6 2-(Hydroxymethyl)morpholine hydrochloride144053-98-5 α-Aminoisobutyric acid methyl ester hydrochloride15028-41-8 (S)-2-(Aminomethyl)-1,4-dioxane Hydrochloride1523541-96-9 4,4-Dihydroxypiperidine hydrochloride40064-34-4

Elsewhere

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