Bevantolol Hydrochloride - 10mM in DMSO , CAS No.42864-78-8

CAS: 42864-78-8 Cat. No.: B423935 Molecular Weight: 381.89 EC Number: 834-176-2
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GRADE & PURITY 10mM in DMSO
Synonyms
DTXCID8028559 | Cl 775 | FT-0639809 | 2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-, HCl | (+/-)-1-((3,4-DIMETHOXYPHENETHYL)AMINO)-3-(M-TOLYLOXY)-2-PROPANOL HYDROCHLORIDE | 1-((3,4-Dimethoxyphenethyl)amino)-3-(m-tolyloxy)propan-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
B423935-1ml
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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

Synonyms
DTXCID8028559 | Cl 775 | FT-0639809 | 2-Propanol, 1-((2-(3, 4-dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-, HCl | (+/-)-1-((3, 4-DIMETHOXYPHENETHYL)AMINO)-3-(M-TOLYLOXY)-2-PROPANOL HYDROCHLORIDE | 1-((3, 4-Dimethoxyphenethyl)amino)-3-(m-tolyloxy)propan-
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesCC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O.Cl
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;hydrochloride
InChIKeyFJTKCFSPYUMXJB-UHFFFAOYSA-N
INCHI1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H
Isomeric SMILES CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O.Cl
Alternate CAS 59170-23-9
Molecular Weight 381.89
Reaxy-Rn 5195067
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5195067&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassMethoxybenzenes
Intermediate Tree Nodes Not available
Direct ParentDimethoxybenzenes
Alternative Parents Phenethylamines  Phenoxy compounds  Anisoles  Toluenes  Aralkylamines  Alkyl aryl ethers  Secondary alcohols  1,2-aminoalcohols  Dialkylamines  Organopnictogen compounds  Hydrochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents O-dimethoxybenzene - Dimethoxybenzene - Phenethylamine - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Toluene - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Ether - Secondary aliphatic amine - Secondary amine - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrochloride - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors hydrochloride
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Melt Point(°C)142℃
Molecular Weight381.900 g/mol
XLogP3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass381.171 Da
Monoisotopic Mass381.171 Da
Topological Polar Surface Area60.000 Ų
Heavy Atom Count26
Formal Charge0
Complexity355.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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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