AC1OV6DC
Basic information
- CAS
84249-36-5- Standard SMILES
Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1ccccc1- InChIKey
QTEKZVQDUYPYJM-NSHDSACASA-N- Molecular formula
- C14H15N3O2
- Average molar mass
- 257.29 g/mol
- Monoisotopic mass
- 257.11642672
Names & identifiers
- Preferred name
- AC1OV6DC
- IUPAC
- 3-methyl-5-nitro-N-[(1S)-1-phenylethyl]pyridin-2-amine
Names & synonyms
AC1OV6DC84249-36-5DTXSID10428958RefChem:314203DTXCID903797923-methyl-5-nitro-N-[(1S)-1-phenylethyl]pyridin-2-amineSCHEMBL8366285
Database identifiers
- CAS
84249-36-5- PubChem CID
- 7909563
- DTXSID
DTXSID10428958- Nikkaji
- J1.026.361A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
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Related reactions
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Compound notes
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