Chromoionophore V , CAS No.132097-01-9

CAS: 132097-01-9 Cat. No.: C293141 분자식: C₃₁H₂₅N₃O₂ 분자량: 471.55

Synonyms

9-(Diethylamino)-5-(2-naphthoylimino)-5H-benzo[a]phenoxazine | DTXSID10394821 | Chromoionophore V | N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]naphthalene-2-carboxamide | N-(9-(Diethylamino)-5H-benzo[a]phenoxazin-5-ylidene)-2-naphthamide | SCHEMBL623

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

9-(Diethylamino)-5-(2-naphthoylimino)-5H-benzo[a]phenoxazine | DTXSID10394821 | Chromoionophore V | N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]naphthalene-2-carboxamide | N-(9-(Diethylamino)-5H-benzo[a]phenoxazin-5-ylidene)-2-naphthamide | SCHEMBL623

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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이름과 식별자

정식 스마일

CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC(=O)C5=CC6=CC=CC=C6C=C5)C=C3O2

IUPAC Name

N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]naphthalene-2-carboxamide

InChIKey

KISNZWYZDRRYKE-UHFFFAOYSA-N

INCHI

1S/C31H25N3O2/c1-3-34(4-2)23-15-16-26-28(18-23)36-29-19-27(24-11-7-8-12-25(24)30(29)32-26)33-31(35)22-14-13-20-9-5-6-10-21(20)17-22/h5-19H,3-4H2,1-2H3

이성체 SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC(=O)C5=CC6=CC=CC=C6C=C5)C=C3O2

분자량

471.55

Reaxy-Rn

43404748

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43404748&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzoxazines
      • Subclass Phenoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzoxazines
• Subclass: Phenoxazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxazines
• Alternative Parents: Naphthalenecarboxamides Dialkylarylamines Secondary ketimines Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenoxazine - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Naphthalene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzenoid - Secondary ketimine - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Oxacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring.
• External Descriptors: Not available

Data sources

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

화학 및 물리적 특성

• 분자량: 471.500 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 471.195 Da
• Monoisotopic Mass: 471.195 Da
• Topological Polar Surface Area: 54.300 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 919.000
• 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: 1