chempirical

Carpronium chloride

C8H18ClNO2CAS 13254-33-6195.69 g/mol

Open in Covalent MOL file
OON+Cl−
EsterQuaternary ammonium

Properties

Molecular formula
C8H18ClNO2
Molar mass
195.69 g/mol
Exact mass
195.1026 Da
Melting point
126 °C
logP
-2.35Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
13254-33-6
SMILES
COC(=O)CCC[N+](C)(C)C.[Cl-]
InChIKey
RZMKWKZIJJNSLQ-UHFFFAOYSA-M
InChI
InChI=1S/C8H18NO2.ClH/c1-9(2,3)7-5-6-8(10)11-4;/h5-7H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

11 names
  • 1-Butanaminium, 4-methoxy-N,N,N-trimethyl-4-oxo-, chloride (1:1)
  • Ammonium, (3-carboxypropyl)trimethyl-, chloride, methyl ester
  • 1-Butanaminium, 4-methoxy-N,N,N-trimethyl-4-oxo-, chloride
  • (3-Carboxypropyl)trimethylammonium chloride, methyl ester
  • Methyl N-trimethyl-γ-aminobutyrate chloride
  • Methyl trimethyl-γ-aminobutyrate chloride
  • 3-Carboxy-N,N,N-trimethyl-1-propanaminium chloride methyl ester
  • γ-Butyrobetaine chloride methyl ester
  • Actinamin
  • Furozin
  • Actinomin

Work with Carpronium 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

Dimethyl glutarate1119-40-059 % similar Dimethyl adipate627-93-057 % similar Dimethyl sebacate106-79-655 % similar 1,12-Dimethyl dodecanedioate1731-79-955 % similar Dimethyl pimelate1732-08-755 % similar Dimethyl suberate1732-09-855 % similar Dimethyl azelate1732-10-155 % similar Rhodasolv RPDE NA95481-62-255 % similar

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

Same formula

N-Me-ala-otbu hcl103614-40-0 Leucine ethyl ester hydrochloride2743-40-0 Ethyl 2-amino-3-methylvalerate hydrochloride56782-52-6

Elsewhere

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