chempirical

(3-Chloro-2-hydroxypropyl)trimethylammonium chloride

C6H15Cl2NOCAS 3327-22-8188.09 g/mol

Open in Covalent MOL file
N+OHClCl−
AlcoholAlkyl halideQuaternary ammonium

Properties

Molecular formula
C6H15Cl2NO
Molar mass
188.09 g/mol
Exact mass
187.0531 Da
Density
1.2 g/mL
Melting point
190 °C
Water solubility
miscible
logP
-2.70Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Warning
Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 612-238-00-8), via PubChem.

Precautionary statements

P203, P273, P280, P318, P405, P501

Identifiers

CAS number
3327-22-8
SMILES
C[N+](C)(C)CC(O)CCl.[Cl-]
InChIKey
CSPHGSFZFWKVDL-UHFFFAOYSA-M
InChI
InChI=1S/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

36 names · show all
  • 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
  • Ammonium, (3-chloro-2-hydroxypropyl)trimethyl-, chloride
  • 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride
  • Trimethyl(2-hydroxy-3-chloropropyl)ammonium chloride
  • (2-Hydroxy-3-chloropropyl)trimethylammonium chloride
  • NT 21
  • 1-Chloro-3-(trimethylammonio)-2-propanol chloride
  • (3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride
  • Quat 188
  • Dextrosil
  • Dextrosil KA
  • Verolan KAF
  • QUAB
  • Dowquat 188
  • QUAB 188
  • Catiomaster C
  • QUAB 218
  • COPA 60S
  • N-(3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride
  • Vircotone ECO
  • CR 2000
  • CR 2000 (fixative)
  • NSC 51216
  • Reagens CFZ
  • Catiomaster C 60
  • Cation master C
  • Reagens S-CFZ
  • 1-Chloro-3-trimethylammonium-2-propanol chloride
  • 1-Chloro-2-hydroxypropane-3-trimethylammonium chloride
  • Reagens S
  • HAC 65
  • CTA
  • EcoFAST CR 2000
  • CTA 65
  • 3-Chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride
  • ZPYM 8069

Work with (3-Chloro-2-hydroxypropyl)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

(2-Hydroxytrimethylene)bis[trimethylammonium iodide]123-47-752 % similar 1,3-Dichloropropan-2-ol96-23-146 % similar (±)-Carnitine461-06-340 % similar (+)-Carnitine541-14-040 % similar (-)-Carnitine541-15-140 % similar (2R)-3-Chloro-1,2-propanediol57090-45-639 % similar (+)-3-Chloro-1,2-propanediol60827-45-439 % similar 3-Mcpd96-24-239 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook