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Home> Hot Product Listed A   > AKOS002682558
3627-45-0 structure

AKOS002682558

Iupac Name:4-phenylpiperidine-4-carboxylic acid
CAS No.:3627-45-0
Molecular Weight:205.257
Molecular Formula:C15H15N5O (isomer)
Names and Identifiers
Synonyms

3-ethyl 7-methyl 4-(dimethylamino)quinoline-3,7-dicarboxylate 4-dimethylamino-quinoline-3,7-dicarboxylic acid 3-ethyl ester 7-methyl ester AK523536 BB 0237859 ZINC40174326

Inchi
InChI=1S/C12H15NO2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)
InChkey
DZZGGKPKWGPNJA-UHFFFAOYSA-N
Canonical Smiles
C1CNCCC1(C2=CC=CC=C2)C(=O)O
Properties
Refractive Index
1.554
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 3627-45-0 EC: AKOS002682558 ·ECHA C&L Inventory for CAS: CAS: 3627-45-0 EC: AKOS002682558
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:205.257g/mol
  • Molecular Formula:C15H15N5O
  • Compound Is Canonicalized:True
  • Exact Mass:205.11
  • Monoisotopic Mass:205.11
  • Complexity:228
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.3A^2
  • Heavy Atom Count:15
  • 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: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAQCAAADgDBmAQwCILAAgCI AiDSCAACAAAgAAAIiIEIAIgIIDKAlRCEYAAk0AGIiAe8yOCPgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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