1-(Benzylamino)-2-methylpropan-2-ol - ≥95% , CAS No.80466-51-9

CAS: 80466-51-9 Cat. No.: B590223 Molecular Weight: 179.26 EC Number: 848-812-1
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
2-Propanol, 2-methyl-1-[(phenylmethyl)amino]- | 2-methyl-1-[(phenylmethyl)amino]-2-propanol | DTXSID10512508 | AKOS010105764 | EN300-126359 | DS-8237 | SCHEMBL2013167 | 1-(BENZYLAMINO)-2-METHYLPROPAN-2-OL | A1-00241 | HTYYZKBJEIKWKW-UHFFFAOYSA-N | MFCD096
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
B590223-100mg
3

$38.90

$58.90
Save $20.00 (33.96%)
250mg
B590223-250mg
2

$57.90

$86.90
Save $29.00 (33.37%)
1g
B590223-1g
1

$69.90

$104.90
Save $35.00 (33.37%)
5g
B590223-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$242.90

$364.90
Save $122.00 (33.43%)
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyms
2-Propanol, 2-methyl-1-[(phenylmethyl)amino]- | 2-methyl-1-[(phenylmethyl)amino]-2-propanol | DTXSID10512508 | AKOS010105764 | EN300-126359 | DS-8237 | SCHEMBL2013167 | 1-(BENZYLAMINO)-2-METHYLPROPAN-2-OL | A1-00241 | HTYYZKBJEIKWKW-UHFFFAOYSA-N | MFCD096
Specifications & Purity
≥95%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Canonical SmilesCC(C)(CNCC1=CC=CC=C1)O
IUPAC Name1-(benzylamino)-2-methylpropan-2-ol
InChIKeyHTYYZKBJEIKWKW-UHFFFAOYSA-N
INCHI1S/C11H17NO/c1-11(2,13)9-12-8-10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3
Isomeric SMILES CC(C)(CNCC1=CC=CC=C1)O
Molecular Weight 179.26
Reaxy-Rn 3237079
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3237079&ln=

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenylmethylamines
Intermediate Tree Nodes Not available
Direct ParentPhenylmethylamines
Alternative Parents Benzylamines  Aralkylamines  Tertiary alcohols  1,2-aminoalcohols  Dialkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenylmethylamine - Benzylamine - Aralkylamine - Tertiary alcohol - 1,2-aminoalcohol - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Pseudomonas aeruginosa (123386 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:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDateItem
A2412250Certificate of AnalysisDec 09, 2023 B590223
A2412251Certificate of AnalysisDec 09, 2023 B590223
A2412255Certificate of AnalysisDec 09, 2023 B590223
A2412257Certificate of AnalysisDec 09, 2023 B590223
A2412259Certificate of AnalysisDec 09, 2023 B590223
Chemical and Physical Properties
Molecular Weight179.260 g/mol
XLogP31.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass179.131 Da
Monoisotopic Mass179.131 Da
Topological Polar Surface Area32.299 Ų
Heavy Atom Count13
Formal Charge0
Complexity139.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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