3-Amino-3-cyclohexylpropan-1-ol - ≥95% , CAS No.109647-95-2

CAS: 109647-95-2 Cat. No.: A728901 Molecular Weight: 157.25 EC Number: 844-400-0 PubChem CID: 17039367
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
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100mg
A728901-100mg
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$561.90

$655.90
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250mg
A728901-250mg
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$748.90
1g
A728901-1g
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$935.90
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5g
A728901-5g
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$2,897.90

$3,380.90
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Why this grade

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

🌡

Storage & shipping

Room temperature Ships 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
Purity
≥95%
Names and Identifiers
Canonical SmilesC1CCC(CC1)C(CCO)N
IUPAC Name3-amino-3-cyclohexylpropan-1-ol
InChIKeyINIIZXNMNKIITF-UHFFFAOYSA-N
INCHI1S/C9H19NO/c10-9(6-7-11)8-4-2-1-3-5-8/h8-9,11H,1-7,10H2
Isomeric SMILES C1CCC(CC1)C(CCO)N
PubChem CID 17039367
Molecular Weight 157.25

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 nitrogen compounds
ClassOrganonitrogen compounds
SubclassAmines
Intermediate Tree Nodes Alkanolamines
Direct Parent1,3-aminoalcohols
Alternative Parents Primary alcohols  Organopnictogen compounds  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents 1,3-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom.
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:
Chemical and Physical Properties
Molecular Weight157.250 g/mol
XLogP31.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass157.147 Da
Monoisotopic Mass157.147 Da
Topological Polar Surface Area46.300 Ų
Heavy Atom Count11
Formal Charge0
Complexity99.700
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
Solution Calculators
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