2-(3,4-Dihydroisoquinolin-2(1h)-yl)ethanamine - ≥95% , CAS No.53356-51-7

CAS: 53356-51-7 Cat. No.: D185039 Molecular Weight: 176.3 EC Number: 837-778-3
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
AM807253 | J-505728 | 3,4-Dihydro-2(1H)-isoquinolineethylamine | AKOS000140212 | NSC159957 | NSC-159957 | 2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethan-1-amine | BBL037744 | MFCD01717314 | 2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine | BRN 1370770 | JTEJMGHPA
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
D185039-5g
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$412.90

$619.90
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Why this grade

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

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Storage & shipping

Room temperature Ships Normal 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

Synonyms
AM807253 | J-505728 | 3, 4-Dihydro-2(1H)-isoquinolineethylamine | AKOS000140212 | NSC159957 | NSC-159957 | 2-(3, 4-Dihydroisoquinolin-2(1H)-yl)ethan-1-amine | BBL037744 | MFCD01717314 | 2-(3, 4-dihydroisoquinolin-2(1H)-yl)ethanamine | BRN 1370770 | JTEJMGHPA
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Canonical SmilesC1CN(CC2=CC=CC=C21)CCN
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
InChIKeyJTEJMGHPAYJBTA-UHFFFAOYSA-N
INCHI1S/C11H16N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5-9,12H2
Isomeric SMILES C1CN(CC2=CC=CC=C21)CCN
Molecular Weight 176.3
Reaxy-Rn 1370770
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1370770&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
SuperclassOrganoheterocyclic compounds
ClassTetrahydroisoquinolines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentTetrahydroisoquinolines
Alternative Parents Aralkylamines  Benzenoids  Trialkylamines  Azacyclic compounds  Organopnictogen compounds  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Tetrahydroisoquinoline - Aralkylamine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
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 Weight176.260 g/mol
XLogP30.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass176.131 Da
Monoisotopic Mass176.131 Da
Topological Polar Surface Area29.300 Ų
Heavy Atom Count13
Formal Charge0
Complexity158.000
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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