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Home> Hot Product Listed C   > CHEMBRDG-BB 5465076
1068-90-2 structure

CHEMBRDG-BB 5465076

Iupac Name:diethyl 2-acetamidopropanedioate
CAS No.:1068-90-2
Molecular Weight:217.2191
Molecular Formula:C11H24N2O (isomer)
Names and Identifiers
Synonyms

N-(2,3-DIMETHOXYBENZYL)CYCLOHEPTANAMINE

Inchi
InChI=1/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)
InChkey
ISOLMABRZPQKOV-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C(C(=O)OCC)NC(=O)C
Properties
Melting Point
94-97℃
Boiling Point
289.1°C at 760 mmHg
Vapour
0.000565mmHg at 25°C
Refractive Index
1.447
HS Code
29241900
Safety and Handling
Risk Statements
R36
Safety Statements
S39
Transport
50kgs
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
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:217.2191g/mol
  • Molecular Formula:C11H24N2O
  • Exact Mass:217.095023
  • Monoisotopic Mass:217.095023
  • Complexity:233
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:81.7
  • Heavy Atom Count:15
  • 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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  • Fax:86-755-33233381
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