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b-Methylcholine Chloride

CAT: 0572-TRC-M305855-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M305855-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2382-43-6
Synonyms
beta-Hydroxypropyltrimethylammonium Chloride; (2-Hydroxypropyl)trimethylammonium Chloride; 2-Hydroxy-N,N,N-trimethyl-1-propanaminium Chloride;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[Cl-].CC(O)C[N+](C)(C)C
Molecular Formula
C6H16ClNO
Molecular Weight
153.65
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(2-Hydroxypropyl)trimethylammonium chloride
CAS Number2382-43-6
PubChem CID16941
IUPAC Name2-hydroxypropyl(trimethyl)azanium chloride
Molecular FormulaC6H16ClNO
Molecular Weight153.65
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity65
SMILES
CC(C[N+](C)(C)C)O.[Cl-]
InChI
InChI=1S/C6H16NO.ClH/c1-6(8)5-7(2,3)4;/h6,8H,5H2,1-4H3;1H/q+1;/p-1
InChIKey
RUUHDEGJEGHQKL-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of (2-Hydroxypropyl)trimethylammonium chloride
CAS: 2382-43-6
CID: 16941
Formula: C6H16ClNO
MW: 153.65
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight153.65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass153.0920418
Monoisotopic Mass153.0920418
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity65.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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