4-Dimethylaminobutyric acid hydrochloride

C6H14ClNO2CAS 69954-66-1167.63 g/mol

Open in Covalent MOL file
NOOHHCl
Carboxylic acidTertiary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 3-(N-Methylpentylamino)propionic acid 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

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