4-Dimethylaminobutyric acid hydrochloride

C₆H₁₄ClNO₂CAS 69954-66-1167.63 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₆H₁₄ClNO₂
Molar mass: 167.63 g/mol
Exact mass: 167.0713 Da
logP: 0.83Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

69954-66-1

SMILES

CN(C)CCCC(=O)O.Cl

InChIKey

RDTALXUBMCLWBB-UHFFFAOYSA-N

InChI

InChI=1S/C6H13NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H

Weigh it out

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

Names and synonyms

1 names

4-(Dimethylamino)butyric acid hydrochloride

Work with 4-Dimethylaminobutyric 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

3-Dimethylaminopropionic acid hydrochloride14788-12-678 % similar Dimethylglycine hydrochloride2491-06-759 % similar 4-(Methylamino)butyric acid hydrochloride6976-17-652 % similar N-Methyl-N-pentyl-β-alanine hydrochloride625120-81-251 % similar Glutaric acid110-94-150 % similar Adipic acid124-04-950 % similar 5-Aminovaleric acid hydrochloride627-95-250 % similar 7-Aminoheptanoic acid hydrochloride62643-56-548 % similar

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

Same formula

Ethyl α-aminoisobutyrate hydrochloride17288-15-2 Methyl D-valinate hydrochloride21685-47-2 Glycine tert-butyl ester hydrochloride27532-96-3 Methyl 5-aminopentanoate hydrochloride29840-56-0 L-Alanine isopropyl ester hydrochloride39825-33-7 Methyl DL-valinate hydrochloride5619-05-6 L-Alanine isopropyl ester hydrochloride62062-65-1 Methyl L-valinate hydrochloride6306-52-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook