Basic information
- CAS
13213-36-0- Standard SMILES
CC(Cc1ccccc1)=NO- InChIKey
AUYFJUMCPAMOKN-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Overview
amphetamine metabolite; RN given refers to cpd without isomeric designation; structure
Names & identifiers
- Preferred name
- Phenylacetone oxime
- IUPAC
- N-(1-phenylpropan-2-ylidene)hydroxylamine
- English name
- Phenylacetone oxime
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
13213-36-0E839PS2VMYNSC-14435RefChem:9290441-Phenyl-2-propanone oximePhenylacetone oxime2-Propanone, 1-phenyl-, oximeN-(1-phenylpropan-2-ylidene)hydroxylamine1-phenylpropan-2-one oxime(E)-1-Phenylpropan-2-one oximeBenzyl methyl ketoximeSCHEMBL3658960
Show more names
1-Phenylacetoneoxime1-Phenylpropane-2-oneoxime
DTXSID701344420FP66449NS00113893
Database identifiers
- CAS
13213-36-0- PubChem CID
- 83237
- DTXSID
DTXSID701344420- UNII
- E839PS2VMY
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- FDA UNII
- 839 PS2VMY · E839PS2VMY
Chemistry & industry
Applications
UsesPhenylacetone oxime (cas# 13213-36-0) is a useful research chemical used in the preparation of pyrroles by visible-light-induced formal cyclo addition of azirines with alkynes.
Upstream & downstream products
Downstream products
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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