Registration Dossier
Registration Dossier
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EC number: 299-682-2 | CAS number: 93893-89-1
Reference substances
- IUPAC name:
- (2E)-3-methyl-5-phenylpent-2-enenitrile
Inventory
- EC number:
- 299-682-2
- EC name:
- 3-methyl-5-phenylpent-2-enenitrile
- CAS number:
- 93893-89-1
- CAS number:
- 93893-89-1
Synonyms
- Names:
- 2-Pentenenitrile, 3-methyl-5-phenyl-
- Identifier:
- other: Molecular formula
- C12H13N
- Identifier:
- other: SMILES notation
- CC(CCc1ccccc1)=CC#N
- Identifier:
- other: InChl
- InChI=1/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3
- 3-methyl-5-phenylpent-2-enenitrile
Molecular and structural information
- Molecular formula:
- C12 H13 N
- Molecular weight:
- 171.238
- SMILES notation:
- (E)-3-methyl-5-phenylpent-2-enenitrile N#C\C=C(\CCc1ccccc1)C
(Z)-3-methyl-5-phenylpent-2-enenitrile N#C\C=C(/CCc1ccccc1)C - InChl:
- (E)-3-methyl-5-phenylpent-2-enenitrile 1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9+
(Z)-3-methyl-5-phenylpent-2-enenitrile 1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9- - Structural formula:
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