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Home> Hot Product Listed C   > Carbamic acid,[(1S,2S)-3-[(2S,5'S)-4-[(1R)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-2,3,4',5'-tetrahydro...
1306-38-3 structure

Carbamic acid,[(1S,2S)-3-[(2S,5'S)-4-[(1R)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-5'-(phenylmethyl)[2,3'-bi-1H-pyrrol]-5'-yl]-2-hydroxy-1-(phenylmethyl)propyl]-,(3S)-tetrahydro-3-furanyl ester (9CI)

Iupac Name:dioxocerium
CAS No.:1306-38-3
Molecular Weight:172.11500
Molecular Formula:C8H13N (isomer)
Names and Identifiers
Synonyms

[(3S)-oxolan-3-yl] N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2S)-4-[(1R)-1-carba moyl-2-phenyl-ethyl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-3-oxo-1H -pyrrol-2-yl]-3-hydroxy-1-phenyl-butan-2-yl]carbamate Carbamicacid,[3-[4-[2-amino-2-oxo-1-(phenylmethyl)ethyl]-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-5'-(phenylmethyl)[2,3'-bi-1H-pyrrol]-5'-yl]-2-hydroxy-1-(phenylmethyl)propyl]-,tetrahydro-3-furanyl ester, [2S-[2R*[R*[1R*(R*),2R*]],4(S*)]]-

Inchi
InChI=1S/Ce.2O
InChkey
CETPSERCERDGAM-UHFFFAOYSA-N
Canonical Smiles
O=[Ce]=O
Properties
Melting Point
2600°C
Boiling Point
116.3°Cat760mmHg
HS Code
2846101000
Safety and Handling
Risk Statements
R36
Safety Statements
S26-S24/25-S23
HazardClass
8
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 1000PLUS view >
Registered companies:
Registrant / Supplier details Latest dossier received
ALBEMARLE CATALYSTS COMPANY B.V. 2010
ALTICHEM 2016
AMG Superalloys UK Limited 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:172.11500g/mol
  • Molecular Formula:C8H13N
  • Compound Is Canonicalized:True
  • Exact Mass:171.895
  • Monoisotopic Mass:171.895
  • Complexity:18.3
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.1A^2
  • Heavy Atom Count:3
  • 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: AAADcQAAMAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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