(3-Carboxypropyl)trimethylammonium chloride

C7H16ClNO2CAS 6249-56-5181.66 g/mol

Open in Covalent MOL file
N+OO−HCl
Carboxylic acidQuaternary ammonium

Properties

Molecular formula
C7H16ClNO2
Molar mass
181.66 g/mol
Exact mass
181.0870 Da
Melting point
212–214 °C
logP
-0.36Crippen estimate
Polar surface area
40.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
6249-56-5
SMILES
C[N+](C)(C)CCCC(=O)[O-].Cl
InChIKey
GNRKTORAJTTYIW-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO2.ClH/c1-8(2,3)6-4-5-7(9)10;/h4-6H2,1-3H3;1H

Weigh it out

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

Names and synonyms

7 names
  • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-, chloride (1:1)
  • Ammonium, (3-carboxypropyl)trimethyl-, chloride
  • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-, chloride
  • γ-Butyrobetaine hydrochloride
  • N-Trimethyl-γ-aminobutyric acid chloride
  • 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride
  • 3-Carboxy-N,N,N-trimethylpropan-1-aminiumchloride

Work with (3-Carboxypropyl)trimethylammonium chloride

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

Betaine chloride590-46-559 % similar Trimethylglycine107-43-748 % similar (S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-446 % similar Carnitine chloride461-05-246 % similar L-(-)-Carnitine hydrochloride6645-46-146 % similar Betaine monohydrate17146-86-044 % similar Betaine monohydrate590-47-644 % similar Disodium sebacate17265-14-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl alaninate hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 Methyl isoleucinate hydrochloride18598-74-8 L-Beta-homoisoleucine hydrochloride219310-10-8 (±)-Valine ethyl ester hydrochloride23358-42-1 N-Me-val-ome hcl3339-44-4 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 Sarcosine t-butyl ester hydrochloride5616-81-9

Elsewhere

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