5-(3-(Dimethylamino)propyl)-5H-dibenzo[a,d][7]annulen-5-ol - ≥97% , CAS No.18029-54-4

CAS: 18029-54-4 Cat. No.: P694939 Molecular Weight: 293.4 EC Number: 241-944-5 PubChem CID: 87418
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
P694939-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$164.90

$247.90
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100mg
P694939-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$245.90

$368.90
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Why this grade

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

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Storage & shipping

Room temperature Ships 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

Specifications & Purity
≥97%
Storage
Room temperature
Purity
≥97%
Names and Identifiers
Canonical SmilesCN(C)CCCC1(C2=CC=CC=C2C=CC3=CC=CC=C31)O
IUPAC Name2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
InChIKeyVMLRQKQUOMJJAN-UHFFFAOYSA-N
INCHI1S/C20H23NO/c1-21(2)15-7-14-20(22)18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-13,22H,7,14-15H2,1-2H3
Isomeric SMILES CN(C)CCCC1(C2=CC=CC=C2C=CC3=CC=CC=C31)O
PubChem CID 87418
Molecular Weight 293.4

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
ClassDibenzocycloheptenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentDibenzocycloheptenes
Alternative Parents Aralkylamines  Tertiary alcohols  Trialkylamines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Dibenzocycloheptene - Aralkylamine - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
RET Tclin Tyrosine-protein kinase receptor RET (6732 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 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 Weight293.400 g/mol
XLogP33.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass293.178 Da
Monoisotopic Mass293.178 Da
Topological Polar Surface Area23.500 Ų
Heavy Atom Count22
Formal Charge0
Complexity363.000
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
Reviews

Customer Reviews

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