3-(N-Methylpentylamino)propionic acid hydrochloride

C₉H₂₀ClNO₂CAS 625120-81-2209.71 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₉H₂₀ClNO₂
Molar mass: 209.71 g/mol
Exact mass: 209.1183 Da
Melting point: 97–98.5 °C
logP: 2.00Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

Hazards

Danger

H302 Harmful if swallowed20% of notifiers
H314 Causes severe skin burns and eye damage20% of notifiers
H315 Causes skin irritation60% of notifiers
H317 May cause an allergic skin reaction20% of notifiers
H319 Causes serious eye irritation40% of notifiers
H335 May cause respiratory irritation40% of notifiers
H341 Suspected of causing genetic defects20% of notifiers
H413 May cause long lasting harmful effects to aquatic life20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

625120-81-2

SMILES

CCCCCN(C)CCC(=O)O.Cl

InChIKey

YDWXRULMHQZBEX-UHFFFAOYSA-N

InChI

InChI=1S/C9H19NO2.ClH/c1-3-4-5-7-10(2)8-6-9(11)12;/h3-8H2,1-2H3,(H,11,12);1H

Weigh it out

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

Names and synonyms

4 names

N-Methyl-N-pentyl-β-alanine hydrochloride
β-Alanine, N-methyl-N-pentyl-, hydrochloride (1:1)
β-Alanine, N-methyl-N-pentyl-, hydrochloride
Ibanic acid hydrochloride

Work with 3-(N-Methylpentylamino)propionic 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

Caproic acid142-62-155 % similar 3-Dimethylaminopropionic acid hydrochloride14788-12-654 % similar Pentadecylic acid1002-84-253 % similar Enanthic acid111-14-853 % similar Pelargonic acid112-05-053 % similar Undecylic acid112-37-853 % similar Behenic acid112-85-653 % similar Caprylic acid124-07-253 % similar

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

Same formula

tert-Butyl (2S)-2-aminopentanoate hydrochloride119483-47-5 tert-Butyl (2S)-2-amino-3-methylbutanoate hydrochloride13518-40-6 Butyrylcholine chloride2963-78-2 7-Aminoheptanoic acid ethyl ester hydrochloride29840-65-1 (S)-2-Ethylbutyl 2-aminopropanoate hydrochloride946511-97-3

Elsewhere

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