chempirical

(3-Carboxypropyl)trimethylammonium chloride

C7H16ClNO2CAS 6249-56-5181.66 g/mol

Open in Covalent MOL file
N+OO−HCl
Halogen

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

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

Same formula

L-Alanine tert-butyl ester hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 Methyl isoleucinate hydrochloride18598-74-8 (±)-Valine ethyl ester hydrochloride23358-42-1 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 D-Alanine tert-butyl ester hydrochloride59531-86-1 Acetylcholine chloride60-31-1 7-Aminoheptanoic acid hydrochloride62643-56-5

Elsewhere

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