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Home> Hot Product Listed A   > AKOS024133331
3230-94-2 structure

AKOS024133331

CAS No.:3230-94-2
Molecular Weight:265.26366
Molecular Formula:C3H6CLNO2S (isomer)
Names and Identifiers
Synonyms

(2-cyclopropyl-1-formylethyl)carbamic acid tert-butyl ester MOLPORT-029-087-047 SCHEMBL8354995

Inchi
InChI=1/C5H12N2O2.C4H7NO4/c6-3-1-2-4(7)5(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,6-7H2,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)/p-1/t4-;2-/m00/s1
Canonical Smiles
C(CC(C(=O)O)N)C[NH3+].C(C(C(=O)[O-])N)C(=O)O
Isomers Smiles
C(C[C@@H](C(=O)O)N)C[NH3+].C([C@@H](C(=O)[O-])N)C(=O)O
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 3230-94-2 EC: AKOS024133331 ·ECHA C&L Inventory for CAS: CAS: 3230-94-2 EC: AKOS024133331
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:265.26366g/mol
  • Molecular Formula:C3H6CLNO2S
  • Exact Mass:265.127385
  • Monoisotopic Mass:265.127385
  • Complexity:222
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:194
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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  • Fax:+86-0592-5567629
  • Tel:86-571-85829152
  • Fax:86-571-85829153
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