1,1'-Bis[3-(trimethylammonio)propyl]-4,4'-bipyridinium Tetrachloride Dihydrate
Catalog Number
ACM108228371
CAS
108228-37-1
IUPAC Name
trimethyl-[3-[4-[1-[3-(trimethylazaniumyl)propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]azanium;tetrachloride;dihydrate
Synonyms
BTMAP-Vi Dihydrate
Molecular Weight
536.4
Molecular Formula
C22H38Cl4N4.2H2O
Product Information
Canonical SMILES
C[N+](C)(C)CCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCC[N+](C)(C)C.O.O.[Cl-].[Cl-].[Cl-].[Cl-]
Inchi
InChI=1S/C22H38N4.4ClH.2H2O/c1-25(2,3)19-7-13-23-15-9-21(10-16-23)22-11-17-24(18-12-22)14-8-20-26(4,5)6;;;;;;/h9-12,15-18H,7-8,13-14,19-20H2,1-6H3;4*1H;2*1H2/q+4;;;;;;/p-4
InChIKey
WXLWEHLFYJBURO-UHFFFAOYSA-J
Purity
>98.0%(HPLC)
Appearance
White to Almost white powder to crystal
storage
Store under inert gas
Complexity
342
Condition To Avoid
Hygroscopic
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
32
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Reaxys Registry Number
6035494
Rotatable Bond Count
9
Signal Word
Warning
Monoisotopic Mass
534.206187g/mol
Exact Mass
536.203237g/mol
Related Products
Please kindly note that our products and services are for research use only.
Have a question? Get a Free Consultation