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Home> Hot Product Listed R   > RT-016573
7756-96-9 structure

RT-016573

Iupac Name:butyl 2-aminobenzoate
CAS No.:7756-96-9
Molecular Weight:193.2423
Molecular Formula:C19H14N6O3 (isomer)
Names and Identifiers
Synonyms

2-amino-7-fluoro-3-phenylquinoline hydrochloride 7-fluoro-3-phenylquinolin-2-amine 7-fluoro-3-phenylquinolin-2-amine hydrochloride 7-fluoro-3-phenylquinolin-2-amine--hydrogen chloride (1/1) CTK8E3750 DTXSID20656669 HE212338 mfcd10703415

Inchi
InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3
InChkey
HUIYGGQINIVDNW-UHFFFAOYSA-N
Canonical Smiles
CCCCOC(=O)C1=CC=CC=C1N
Properties
Refractive Index
n20/D 1.545(lit.)
Safety and Handling
Risk Statements
R22
Safety Statements
26
Transport
DG1527000
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

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:193.2423g/mol
  • Molecular Formula:C19H14N6O3
  • XLogP3-AA:3.5
  • Exact Mass:193.110279
  • Monoisotopic Mass:193.110279
  • Complexity:182
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:52.3
  • Heavy Atom Count:14
  • 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
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:2035740075
  • Fax:+203-574-3181
  • Tel:+86-027-59599243
  • Fax:
  • Tel:0086-21-50563169
  • Fax:
  • Tel:91 - 22 – 4250 4000
  • Fax:
  • Tel:+86-0571-87550459
  • Fax:
  • Tel:+1-(908)-432-2828, 904-1802
  • Fax:+1-(908)-904-0471
 
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