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Home> Encyclopedia > Hot Product Listed 2   > 2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pen...
642-31-9 structure

2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-,(4S,4aR,5S,5aR,12aS)-

Iupac Name:anthracene-9-carbaldehyde
CAS No.:642-31-9
Molecular Weight:206.244
Molecular Formula:C4H11NO (isomer)
Names and Identifiers
Synonyms

(2z,4s,4ar,5s,5ar,12as)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione (4s,4ar,5s,5ar,12as)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione 23Q8M2HE6S 2-naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo- 2-naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-, (4s-(4alpha,4aalpha,5alpha,5aalpha,12aalpha))- 2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-(6CI,7CI,8CI) 2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-,[4S-(4a,4aa,5a,5aa,12aa)]- 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacene carboxamide 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide 7-chloro-6-methylene-5-oxytetracycline 7-cloro-6-metilene-5-ossitetraciclina 7-cloro-6-metilene-5-ossitetraciclina [italian] AB00053598_03 AB00053598_04 AC1L27GB api0009106 c22h21cln2o8 CHEBI:135772 CHEMBL1237124 D02476 DB13092 DTXSID4048567 einecs 217-938-3 GGQJXCQBBONZFX-IWVLMIASSA-N gs 2989 gs-2989 LS-93859 meclociclina meclociclina [inn-spanish] meclociclina [italian] meclocycline meclocycline (usan/inn) meclocycline [usan:inn:ban] meclocyclinum meclocyclinum [inn-latin] meclosorb nsc 78502 samil SCHEMBL12841672 SCHEMBL1650332 SCHEMBL3445 unii-23q8m2he6s ZINC60298588 ZINC84402690

Inchi
InChI=1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
InChkey
YMNKUHIVVMFOFO-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=O
Isomers Smiles
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=O
Properties
Melting Point
103-107℃
Refractive Index
1.745
Flash Point
164°C
HS Code
29122900
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Transport
25kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:206.244g/mol
  • Molecular Formula:C4H11NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:4
  • Exact Mass:206.073
  • Monoisotopic Mass:206.073
  • Complexity:238
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAGgAAAAAADACgmAIwAMAAAACI AihSgAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiQcIiMCOwAACAAAQAACAAAQAACAAAAAAAAAA AA==
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