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Home> Hot Product Listed M   > MOLPORT-005-232-281
79099-07-3 structure

MOLPORT-005-232-281

Iupac Name:tert-butyl 4-oxopiperidine-1-carboxylate
CAS No.:79099-07-3
Molecular Weight:199.24688
Molecular Formula:C12H13IO3 (isomer)
Names and Identifiers
Synonyms

1-n-(1-phenylethyl)benzene-1,2-diamine AK483117 mfcd11187008 n1-(1-phenylethyl)benzene-1,2-diamine SCHEMBL8353923

Inchi
InChI=1/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h4-7H2,1-3H3
InChkey
ROUYFJUVMYHXFJ-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCC(=O)CC1
Properties
Melting Point
73-77℃
Refractive Index
1.481
Safety and Handling
Risk Statements
R22;R36/38
Safety Statements
S26;S37/39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 79099-07-3 EC: MOLPORT-005-232-281 ·ECHA C&L Inventory for CAS: CAS: 79099-07-3 EC: MOLPORT-005-232-281
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:199.24688g/mol
  • Molecular Formula:C12H13IO3
  • Exact Mass:199.120843
  • Monoisotopic Mass:199.120843
  • Complexity:232
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.6
  • Heavy Atom Count:14
  • 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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