N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid
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Basic information
- CAS
67792-89-6- Standard SMILES
CCOC(=O)C(Cc1ccccc1)N(N=O)C(N)=O- InChIKey
GZEIUZIEIRUPGE-UHFFFAOYSA-N- Molecular formula
- C12H15N3O4
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.10625597
Names & identifiers
- Preferred name
- N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acid
- IUPAC
- ethyl 2-[carbamoyl(nitroso)amino]-3-phenylpropanoate
Names & synonyms
67792-89-6DTXSID90987134N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)-N-nitrosocarbamimidic acidRefChem:1090789DTXCID701414302N-Carbamoyl-N-nitroso-3-phenylalanine ethyl esterALANINE, N-CARBAMOYL-N-NITROSO-3-PHENYL-, ETHYL ESTER
Database identifiers
- CAS
67792-89-6- PubChem CID
- 49977
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
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Related reactions
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Compound notes
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