N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide , CAS No.N667804

CAS: N667804 Cat. No.: N667804 Molecular Weight: 312.8
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Synonyms
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide | w-13 | CHEBI:75366 | N-(4-Aminobutyl)-5-Chloro-2-Naphthalenesulfonamide | 2-Naphthalenesulfonamide, N-(4-aminobutyl)-5-chloro- | N-(4-Aminobutyl)-5-chloro-2-naphthalenesulfonamide hydrochloride | Tocris
Storage
Room temperature
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Size
Status
Price
Qty
1mg
N667804-1mg
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$571.90

$999.90
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5mg
N667804-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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

Synonyms
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide | w-13 | CHEBI:75366 | N-(4-Aminobutyl)-5-Chloro-2-Naphthalenesulfonamide | 2-Naphthalenesulfonamide, N-(4-aminobutyl)-5-chloro- | N-(4-Aminobutyl)-5-chloro-2-naphthalenesulfonamide hydrochloride | Tocris
Storage
Room temperature
Product Properties
ALogP2.5
Names and Identifiers
Canonical SmilesC1=CC2=C(C=CC(=C2)S(=O)(=O)NCCCCN)C(=C1)Cl
IUPAC NameN-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide
InChIKeyJJQKICOADUKSNS-UHFFFAOYSA-N
INCHI1S/C14H17ClN2O2S/c15-14-5-3-4-11-10-12(6-7-13(11)14)20(18,19)17-9-2-1-8-16/h3-7,10,17H,1-2,8-9,16H2
Isomeric SMILES C1=CC2=C(C=CC(=C2)S(=O)(=O)NCCCCN)C(=C1)Cl
Molecular Weight 312.8
Reaxy-Rn 6227387
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6227387&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 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
ClassNaphthalenes
SubclassNaphthalene sulfonic acids and derivatives
Intermediate Tree Nodes Not available
Direct Parent2-naphthalene sulfonic acids and derivatives
Alternative Parents 2-naphthalene sulfonamides  Chloronaphthalenes  Organosulfonamides  Aryl chlorides  Aminosulfonyl compounds  Organopnictogen compounds  Organochlorides  Organic oxides  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Chloronaphthalene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors sulfonamide - organochlorine compound - primary amino compound - naphthalenes
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 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
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
rep Replicase polyprotein 1ab (378 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 Weight312.800 g/mol
XLogP32.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass312.07 Da
Monoisotopic Mass312.07 Da
Topological Polar Surface Area80.600 Ų
Heavy Atom Count20
Formal Charge0
Complexity396.000
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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