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Home> Hot Product Listed K   > KSINVMMDBYSEMQ-SNVBAGLBSA-N
71-00-1 structure

KSINVMMDBYSEMQ-SNVBAGLBSA-N

Iupac Name:(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
CAS No.:71-00-1
Molecular Weight:155.157
Molecular Formula:HMOO2P-6 (isomer)
Names and Identifiers
Synonyms

(r)-1-(2-chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid d-proline, 1-[(2-chlorophenyl)methyl]-5-oxo- d-proline,1-[(2-chlorophenyl)methyl]-5-oxo- SCHEMBL1613178 ZINC266790

Inchi
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
InChkey
HNDVDQJCIGZPNO-YFKPBYRVSA-N
Canonical Smiles
C1=C(NC=N1)CC(C(=O)O)N
Isomers Smiles
C1=C(NC=N1)C[C@@H](C(=O)O)N
Properties
Melting Point
282℃
Refractive Index
1.731
Alpha
12.4 o (C=11,6N HCL)
HS Code
29332990
Safety and Handling
Risk Statements
22-36/37/38
Safety Statements
S24/25
Transport
25kgs
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 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
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:155.157g/mol
  • Molecular Formula:HMOO2P-6
  • Compound Is Canonicalized:True
  • Exact Mass:155.069
  • Monoisotopic Mass:155.069
  • Complexity:151
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:92A^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: AAADccBjMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAQCAAACCjBlgQtmBbJkgCo ART3bAAAgC2xEqABUYG4cAiCaBJA2QGUQAAMkAJAQCC8EQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-22-58951207
  • Tel:+86-0592-5567629
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  • Tel:86-571-85829152
  • Fax:86-571-85829153
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  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
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