Registration Dossier
Registration Dossier
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EC number: 940-650-0 | CAS number: -
Reference substances
- IUPAC name:
- 2-(4-cyclopropanecarbonylphenyl)-2-methylpropanoic acid; cyclohexanamine
Inventory
Synonyms
- Names:
- CPKA-540
- Identifier:
- IUPAC name
- 2-(4-cyclopropanecarbonylphenyl)-2-methylpropanoic acid cyclohexylamine salt
- Identifier:
- other: InChl
- 1S/C14H16O3/c1-14(2,13(16)17)11-7-5-10(6-8-11)12(15)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,16,17) + 1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1
- Identifier:
- other: Molecular formula
- C20H29O3N
- Identifier:
- other: SMILES notation
- CC(C)(C(=O)(ON(H)(H)(H)C2CCCCC2))c3ccc(cc3)C(=O)C1CC1 or [NH3+]C1CCCCC1.[O-]C(=O)C(C)(C)c1ccc(cc1)C(=O)C2CC2
- 2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanoic acid; cyclohexanamine
Molecular and structural information
- Molecular formula:
- C20H29NO3
- Molecular weight:
- 331.449
- SMILES notation:
- NC1CCCCC1.O=C(O)C(C)(C)c1ccc(cc1)C(=O)C2CC2
- InChl:
- InChI=1/C14H16O3.C6H13N/c1-14(2,13(16)17)11-7-5-10(6-8-11)12(15)9-3-4-9;7-6-4-2-1-3-5-6/h5-9H,3-4H2,1-2H3,(H,16,17);6H,1-5,7H2
- Structural formula:
Related substances
- Identifier:
- EC number
- Identity:
- 812-929-6
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