Bicyclo[2.2.2]octane-1-carboxylic acid, 4-(aminocarbonyl)- - ≥95% , CAS No.1160591-75-2

CAS: 1160591-75-2 Cat. No.: B771045 Molecular Weight: 197.231
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
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Status
Price
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25mg
B771045-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$535.90

$624.90
Save $89.00 (14.24%)
50mg
B771045-50mg
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$891.90

$1,040.90
Save $149.00 (14.31%)
100mg
B771045-100mg
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$1,604.90

$1,872.90
Save $268.00 (14.31%)
500mg
B771045-500mg
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$6,378.90
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Why this grade

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

🌡

Storage & shipping

Room temperature Ships Normal 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

Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Canonical SmilesC1CC2(CCC1(CC2)C(=O)N)C(=O)O
InChIKeyQEKBJHIBPLRQFD-UHFFFAOYSA-N
INCHI1S/C10H15NO3/c11-7(12)9-1-4-10(5-2-9,6-3-9)8(13)14/h1-6H2,(H2,11,12)(H,13,14)
Isomeric SMILES C1CC2(CCC1(CC2)C(=O)N)C(=O)O
Molecular Weight 197.231

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassCarboxylic acid derivatives
Intermediate Tree Nodes Carboxylic acid amides
Direct ParentPrimary carboxylic acid amides
Alternative Parents Monocarboxylic acids and derivatives  Carboxylic acids  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
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 Weight197.230 g/mol
XLogP30.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass197.105 Da
Monoisotopic Mass197.105 Da
Topological Polar Surface Area80.400 Ų
Heavy Atom Count14
Formal Charge0
Complexity273.000
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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