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Home> Hot Product Listed P   > Pentanoic acid,3-amino-5-[(1-carboxyethyl)amino]-5-oxo-, [S-(R*,R*)]- (9CI)
87-99-0 structure

Pentanoic acid,3-amino-5-[(1-carboxyethyl)amino]-5-oxo-, [S-(R*,R*)]- (9CI)

CAS No.:87-99-0
Molecular Weight:152.14578
Molecular Formula:C12H20N4O4PT (isomer)
Names and Identifiers
Synonyms

beta-aminoglutarylalanine

Inchi
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+
Canonical Smiles
C(C(C(C(CO)O)O)O)O
Properties
Melting Point
92-96℃
Safety and Handling
Risk Statements
36/37/38
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  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Danisco Sweeteners Oy 2013
DHW Deutsche Hydrierwerke GmbH Rodleben 2013
ROQUETTE Frères 2013
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:152.14578g/mol
  • Molecular Formula:C12H20N4O4PT
  • XLogP3-AA:_2.5
  • Exact Mass:152.068473
  • Monoisotopic Mass:152.068473
  • Complexity:76.1
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:101
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • 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:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-22-58951207
  • Fax:86-22-58951207
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
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  • Tel:86-188-74586545
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  • Tel:86-1732-7098554
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