4′-Aminomethyltrioxsalen hydrochloride , CAS No.62442-61-9

Name: 4′-Aminomethyltrioxsalen hydrochloride , CAS No.62442-61-9
Brand: Aladdin Scientific
SKU: A340479
Availability: InStock

CAS: 62442-61-9 Cat. No.: A340479 Molecular Weight: 293.75 EC Number: 621-247-6

COA

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4′-Aminomethyltrioxsalen hydrochloride - CAS No(62442-61-9) by Aladdin Scientific

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Synonyms

3-(aminomethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one hydrochloride | DTXSID60978014 | 3-(Aminomethyl)-2,5,9-trimethyl-7H-furo(3,2-g)(1)benzopyran-7-one hydrochloride | 4'-Aminomethyltrioxsalen hydrochloride | 7H-Furo(3,2-g)(1)benzopyran-7-one, 3-(amino

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Solution Calculators Reviews

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice 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.

Overview

Trioxsalens, also known as psoralens, are physiological photosensitizing agents historically used to alter human skin pigmentation. At the molecular level, psoralens intercalate into double-stranded DNA. Irradiation induces monosubstitution of pyrimidine bases. If efficiency is high, double substitution and bridging will occur. Designed to bind tightly within the DNA helix to improve substitution yields during irradiation. Inactivates DNA and RNA viruses, including HIV-1, by inducing nucleic acid cross-linking followed by UV irradiation.

Specifications

Synonyms

3-(aminomethyl)-2, 5, 9-trimethylfuro[3, 2-g]chromen-7-one hydrochloride | DTXSID60978014 | 3-(Aminomethyl)-2, 5, 9-trimethyl-7H-furo(3, 2-g)(1)benzopyran-7-one hydrochloride | 4'-Aminomethyltrioxsalen hydrochloride | 7H-Furo(3, 2-g)(1)benzopyran-7-one, 3-(amino

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Canonical Smiles	CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CN)C.Cl
IUPAC Name	3-(aminomethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one;hydrochloride
InChIKey	HAWQZPVGCLHOBD-UHFFFAOYSA-N
INCHI	1S/C15H15NO3.ClH/c1-7-4-13(17)19-14-8(2)15-11(5-10(7)14)12(6-16)9(3)18-15;/h4-5H,6,16H2,1-3H3;1H
Isomeric SMILES	CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CN)C.Cl
WGK Germany	3
Molecular Weight	293.75
Reaxy-Rn	14270984
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14270984&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

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Coumarins and derivatives
    - Subclass Furanocoumarins
      - Level5 Linear furanocoumarins
        Level6 Psoralens

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives
Subclass	Furanocoumarins
Intermediate Tree Nodes	Linear furanocoumarins
Direct Parent	Psoralens
Alternative Parents	1-benzopyrans Benzofurans Pyranones and derivatives Aralkylamines Benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Pyranone - Aralkylamine - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Solubility	Soluble in Water (1 mg/ml) and DMSO (2 mg/ml)
Molecular Weight	293.740 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	293.082 Da
Monoisotopic Mass	293.082 Da
Topological Polar Surface Area	65.500 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	420.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2