Acetone O-(benzyloxycarbonyl)oxime

IUPAC: benzyl (propan-2-ylideneamino) carbonate

CAS 137160-76-0
C11H13NO3

Acetone O-(benzyloxycarbonyl)oxime (CAS 137160-76-0) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.23 g/mol . GHS signal word: Warning. Hazard classifications: Health Hazard.

What is Acetone O-(benzyloxycarbonyl)oxime?

Molecular Formula
C11H13NO3
Molecular Weight
207.23 g/mol

Structure Identifiers

SMILES
CC(=NOC(=O)OCC1=CC=CC=C1)C
InChI
InChI=1S/C11H13NO3/c1-9(2)12-15-11(13)14-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey
YAECLTQWHQOIQR-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
207.0895 Da
XLogP
2.20
TPSA
47.9 Ų
H-Bond Donors
0
H-Bond Acceptors
4
Complexity
228
Formal Charge
0

Safety information

Signal Word

Warning

GHS Pictograms

GHS pictogram: Health Hazard GHS07

Hazard Statements

  • H315 Causes skin irritation

Precautionary Statements

  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P271 Use only outdoors or in a well-ventilated area
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (13)

  • 630-776-1
  • ST51038331
  • 137160-76-0
  • AKOS024386596
  • DTXCID60344134
  • DTXSID70393274
  • RefChem:316807
  • SCHEMBL3151855
  • Acetone O-(benzyloxycarbonyl)oxime
  • Acetone O-(benzyloxycarbonyl)oxime, 98%
  • Benzyl (propan-2-ylideneamino) Carbonate
  • 2-methyl-1-azaprop-1-enyl (phenylmethoxy)formate
  • (Benzyloxy){[(propan-2-ylidene)amino]oxy}methanone

Frequently asked questions

What is the CAS number of Acetone O-(benzyloxycarbonyl)oxime?

The CAS Registry Number for Acetone O-(benzyloxycarbonyl)oxime is 137160-76-0.

What is the IUPAC name of Acetone O-(benzyloxycarbonyl)oxime?

The IUPAC name of Acetone O-(benzyloxycarbonyl)oxime is benzyl (propan-2-ylideneamino) carbonate.

What is the molecular formula of Acetone O-(benzyloxycarbonyl)oxime?

Acetone O-(benzyloxycarbonyl)oxime has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol.

What is the SMILES notation for Acetone O-(benzyloxycarbonyl)oxime?

The SMILES notation for Acetone O-(benzyloxycarbonyl)oxime is CC(=NOC(=O)OCC1=CC=CC=C1)C.

Is Acetone O-(benzyloxycarbonyl)oxime hazardous?

Acetone O-(benzyloxycarbonyl)oxime carries the following GHS hazard classifications: Health Hazard. Signal word: Warning.

What are other names for Acetone O-(benzyloxycarbonyl)oxime?

Acetone O-(benzyloxycarbonyl)oxime is also known as (Benzyloxy){[(propan-2-ylidene)amino]oxy}methanone, 137160-76-0, 2-methyl-1-azaprop-1-enyl (phenylmethoxy)formate, 630-776-1, Acetone O-(benzyloxycarbonyl)oxime.

Data sourced from PubChem CID 3521347. Last updated .

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