Acetone semicarbazone

IUPAC: (propan-2-ylideneamino)urea

CAS 110-20-3
C4H9N3O

Acetone semicarbazone (CAS 110-20-3) is a chemical compound with molecular formula C4H9N3O and molecular weight 115.13 g/mol . GHS signal word: Danger. Hazard classifications: Toxic.

What is Acetone semicarbazone?

Molecular Formula
C4H9N3O
Molecular Weight
115.13 g/mol

Structure Identifiers

SMILES
CC(=NNC(=O)N)C
InChI
InChI=1S/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
InChIKey
HQDAJGNZGNZGCO-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
115.0746 Da
XLogP
-0.80
TPSA
67.5 Ų
H-Bond Donors
2
H-Bond Acceptors
2
Complexity
114
Formal Charge
0

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Toxic GHS06

Hazard Statements

  • H301 Toxic if swallowed

Precautionary Statements

  • P264 Wash thoroughly after handling
  • P270 Do not eat, drink or smoke when using this product
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P330 Rinse mouth
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (32)

  • A0058
  • E78190
  • NSC456
  • NSC 456
  • NSC-456
  • 110-20-3
  • STR04088
  • 203-746-7
  • AI3-00507
  • CS-W011237
  • NS00023536
  • BRN 0970110
  • MFCD00014785
  • AKOS009143193
  • DTXCID2033156
  • DTXSID9059383
  • RefChem:552388
  • SCHEMBL6219184
  • EINECS 203-746-7
  • WLN: ZVMNUY1 & 1
  • Acetonesemicarbazone
  • Acetone semicarbazone
  • Acetone, semicarbazone
  • (isopropylideneamino)urea
  • 2-Propanone semicarbazone
  • 2-Propanone, semicarbazone
  • (propan-2-ylideneamino)urea
  • [(propan-2-ylidene)amino]urea
  • 2-(Propan-2-ylidene)hydrazinecarboxamide
  • 2-(1-Methylethylidene)hydrazinecarboxamide
  • 2-(Propan-2-ylidene)hydrazine-1-carboxamide
  • Hydrazinecarboxamide, 2-(1-methylethylidene)-

Frequently asked questions

What is the CAS number of Acetone semicarbazone?

The CAS Registry Number for Acetone semicarbazone is 110-20-3.

What is the IUPAC name of Acetone semicarbazone?

The IUPAC name of Acetone semicarbazone is (propan-2-ylideneamino)urea.

What is the molecular formula of Acetone semicarbazone?

Acetone semicarbazone has the molecular formula C4H9N3O and a molecular weight of 115.13 g/mol.

What is the SMILES notation for Acetone semicarbazone?

The SMILES notation for Acetone semicarbazone is CC(=NNC(=O)N)C.

Is Acetone semicarbazone hazardous?

Acetone semicarbazone carries the following GHS hazard classifications: Toxic. Signal word: Danger.

What are other names for Acetone semicarbazone?

Acetone semicarbazone is also known as (isopropylideneamino)urea, (propan-2-ylideneamino)urea, [(propan-2-ylidene)amino]urea, 110-20-3, 2-(1-Methylethylidene)hydrazinecarboxamide.

Data sourced from PubChem CID 66965. Last updated .

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