5-Chloro-3-(4-morpholinylmethyl)-2(3H)-benzoxazolone , CAS No.16376-61-7

CAS: 16376-61-7 Cat. No.: C667881 Peso molecular: 268.69
Disponible para pedir
Synonyms
N-(Morpholinomethyl)chlorzoxazone | NSC 108209 | BRN 1219941 | 5-Chloro-3-(morpholinomethyl)-2-benzoxazolinone | Morfolinometylo-5-chloro-benzoksazolon-2 [Polish] | 2-Benzoxazolinone, 5-chloro-3-(morpholinomethyl)- | NSC108209 | 5-Chloro-3-(4-morpholinylm
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
C667881-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
C667881-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

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.

📋

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

Sinónimos
N-(Morpholinomethyl)chlorzoxazone | NSC 108209 | BRN 1219941 | 5-Chloro-3-(morpholinomethyl)-2-benzoxazolinone | Morfolinometylo-5-chloro-benzoksazolon-2 [Polish] | 2-Benzoxazolinone, 5-chloro-3-(morpholinomethyl)- | NSC108209 | 5-Chloro-3-(4-morpholinylm
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP1.7
Nombres e identificadores
Sonrisas canónicasC1COCCN1CN2C3=C(C=CC(=C3)Cl)OC2=O
IUPAC Name5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one
InChIKeyHUXKPGMUERDTKR-UHFFFAOYSA-N
INCHI1S/C12H13ClN2O3/c13-9-1-2-11-10(7-9)15(12(16)18-11)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2
Isómeros SMILES C1COCCN1CN2C3=C(C=CC(=C3)Cl)OC2=O
Peso molecular 268.69
Reaxy-Rn 1219941
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1219941&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

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseBenzoxazoles
SubclassBenzoxazolones
Intermediate Tree Nodes Not available
Direct ParentBenzoxazolones
Alternative Parents Morpholines  Benzenoids  Aryl chlorides  Oxazoles  Heteroaromatic compounds  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzoxazolone - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Dialkyl ether - Ether - Oxacycle - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
NOS2 Tchem Nitric oxide synthase, inducible (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Nos2 Nitric oxide synthase, inducible (3573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular268.690 g/mol
XLogP31.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass268.061 Da
Monoisotopic Mass268.061 Da
Topological Polar Surface Area42.000 Ų
Heavy Atom Count18
Formal Charge0
Complexity322.000
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
Calculadoras de soluciones
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