4-(Methylamino)butyric acid hydrochloride

C₅H₁₂ClNO₂CAS 6976-17-6153.61 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine

Properties

Molecular formula: C₅H₁₂ClNO₂
Molar mass: 153.61 g/mol
Exact mass: 153.0557 Da
logP: 0.49Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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

6976-17-6

SMILES

CNCCCC(=O)O.Cl

InChIKey

JMLHQRQZCMCQNJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H11NO2.ClH/c1-6-4-2-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H

Weigh it out

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

Work with 4-(Methylamino)butyric 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

N-Methyl-β-alanine2679-14-367 % similar N-Methylglycine hydrochloride637-96-759 % similar Piperazine adipate142-88-152 % similar 4-Dimethylaminobutyric acid hydrochloride69954-66-152 % 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

(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 3-Dimethylaminopropionic acid hydrochloride14788-12-6 α-Aminoisobutyric acid methyl ester hydrochloride15028-41-8 (2S)-1,4-Dioxane-2-methanamine hydrochloride1523541-96-9

Elsewhere

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