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Home> Hot Product Listed T   > T6751188
875-74-1 structure

T6751188

Iupac Name:(2R)-2-amino-2-phenylacetic acid
CAS No.:875-74-1
Molecular Weight:151.165
Molecular Formula:C22H27CLN4O3 (isomer)
Names and Identifiers
Synonyms

2-ethoxy-n-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide MCULE-4414085994 MOLPORT-009-044-012 Z405829578 ZINC58160363

Inchi
InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1
InChkey
ZGUNAGUHMKGQNY-SSDOTTSWSA-N
Canonical Smiles
C1=CC=C(C=C1)C(C(=O)O)N
Isomers Smiles
C1=CC=C(C=C1)[C@H](C(=O)O)N
Properties
Melting Point
302℃
Refractive Index
-158 ° (C=1, 1mol/L HCl)
Alpha
-156 o (C=1,1N HCL)
HS Code
29224995
Safety and Handling
Risk Statements
R23/24/25
Safety Statements
S24/25
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Deretil S.A. 2010
DSM Sinochem Pharmaceuticals Spain S.A. 2014
more >
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:151.165g/mol
  • Molecular Formula:C22H27CLN4O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.7
  • Exact Mass:151.063
  • Monoisotopic Mass:151.063
  • Complexity:141
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.3A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:1
  • 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: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCjBmAQwCIBAAgCI AiDSCACCAAAgAAAIiIGABIgKIDKAlRGAYABkwAEIiAeYyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-88938652
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  • Tel:86-25-83697070
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  • Fax:86-21-61294103
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-371-86658258
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