(R)-3-Chloro-2-Hydroxy-N,N,N-Trimethylpropan-1-Aminium Chloride - ≥97% , CAS No.117604-42-9

CAS: 117604-42-9 Cat. No.: C770964 PubChem CID: 13393826
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
C770964-100mg
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$57.90

$67.90
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250mg
C770964-250mg
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$113.90

$132.90
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesC[N+](C)(C)CC(CCl)O.[Cl-]
IUPAC Name[(2R)-3-chloro-2-hydroxypropyl]-trimethylazanium;chloride
InChIKeyCSPHGSFZFWKVDL-RGMNGODLSA-M
INCHI1S/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1/t6-;/m0./s1
Isomeric SMILES C[N+](C)(C)C[C@H](CCl)O.[Cl-]
PubChem CID 13393826

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassQuaternary ammonium salts
Intermediate Tree Nodes Not available
Direct ParentCholines
Alternative Parents Tetraalkylammonium salts  Secondary alcohols  Chlorohydrins  1,2-aminoalcohols  Organochlorides  Organic zwitterions  Organic chloride salts  Hydrocarbon derivatives  Alkyl chlorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Choline - Tetraalkylammonium salt - 1,2-aminoalcohol - Chlorohydrin - Halohydrin - Secondary alcohol - Organic oxygen compound - Organic zwitterion - Organooxygen compound - Organochloride - Organohalogen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Amine - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight188.090 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass187.053 Da
Monoisotopic Mass187.053 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count10
Formal Charge0
Complexity79.600
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
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