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Home> Hot Product Listed T   > Tridecanamide,N-(1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)-
7695-63-8 structure

Tridecanamide,N-(1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)-

Iupac Name:1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CAS No.:7695-63-8
Molecular Weight:209.289
Molecular Formula:C6H18N4· (isomer)
Names and Identifiers
Synonyms

AC1L5IUX AC1Q5LFA n-(1-hydroxy-3,4-dioxo-3,4-dihydronaphthalen-2-yl)tridecanamide n-(1-hydroxy-3,4-dioxonaphthalen-2-yl)tridecanamide n-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)tridecanamide n-(3-hydroxy-1,4-dioxo-2-naphthyl)tridecanamide nsc 123137 nsc123137 nsc-123137 Tridecanamide,N-(1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthyl)- (8CI) ZINC104106080

Inchi
InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
InChkey
ONXLHKFGTDDVLQ-UHFFFAOYSA-N
Canonical Smiles
CC(C)NCC(COC1=CC=CC=C1)O
Properties
Melting Point
75℃
Refractive Index
1.514
Flash Point
14.1°C
Reach Info
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)

H302 Harmful if swallowed

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:209.289g/mol
  • Molecular Formula:C6H18N4·
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.7
  • Exact Mass:209.142
  • Monoisotopic Mass:209.142
  • Complexity:156
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:41.5A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAACDzhkAYyBoLABgCA ACBCAAACCAAgIAAIiIAOCIgPNiKEMRqGOCCm0BGbqAeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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