Azepane-4-carboxylic acid - ≥97% , CAS No.97164-96-0

CAS: 97164-96-0 Cat. No.: A178581 Molecular Weight: 143.18
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
AS-33499 | PB15253 | AZEPANE-4-CARBOXYLIC ACID | XDA16496 | SCHEMBL444522 | Perhydro-azepine-4-carboxylic acid | EN300-814373 | DTXSID00602902 | 1H-AZEPINE-4-CARBOXYLIC ACID, HEXAHYDRO- | AKOS006358087 | AZEPANE-4-CARBOXYLICACID | 1h-azepine-4-carboxylic
Storage
Store at 2-8°C,Protected from light
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
A178581-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$29.90
250mg
A178581-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$82.90
1g
A178581-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$188.90

$249.90
Save $61.00 (24.41%)
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Why this grade

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

🌡

Storage & shipping

Store at 2-8°C,Protected from light 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
AS-33499 | PB15253 | AZEPANE-4-CARBOXYLIC ACID | XDA16496 | SCHEMBL444522 | Perhydro-azepine-4-carboxylic acid | EN300-814373 | DTXSID00602902 | 1H-AZEPINE-4-CARBOXYLIC ACID, HEXAHYDRO- | AKOS006358087 | AZEPANE-4-CARBOXYLICACID | 1h-azepine-4-carboxylic
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesC1CC(CCNC1)C(=O)O
IUPAC Nameazepane-4-carboxylic acid
InChIKeyBCVGGQNBSCMMPV-UHFFFAOYSA-N
INCHI1S/C7H13NO2/c9-7(10)6-2-1-4-8-5-3-6/h6,8H,1-5H2,(H,9,10)
Isomeric SMILES C1CC(CCNC1)C(=O)O
Alternate CAS 1393449-23-4
Molecular Weight 143.18
Reaxy-Rn 386502
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386502&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzepanes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAzepanes
Alternative Parents Amino acids  Monocarboxylic acids and derivatives  Dialkylamines  Carboxylic acids  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Azepane - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom.
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
Sensitivitylight sensitive
Molecular Weight143.180 g/mol
XLogP3-2.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass143.095 Da
Monoisotopic Mass143.095 Da
Topological Polar Surface Area49.300 Ų
Heavy Atom Count10
Formal Charge0
Complexity125.000
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 Count1
Documents & Articles
Solution Calculators
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