(S)-4-Amino-1,3,4,5-tetrahydro-3-oxo-2H-2-benzazepine-2-acetic acid

Base Information

• Chemical Name: (S)-4-Amino-1,3,4,5-tetrahydro-3-oxo-2H-2-benzazepine-2-acetic acid
• CAS No.: 148842-87-9
• Molecular Formula: C12H14N2O3
• DSSTox Substance ID: DTXSID901158421
• Mol file: 148842-87-9.mol

Synonyms:SCHEMBL199254;NNUBFICAIRTGLW-JTQLQIEISA-N;DTXSID901158421;(4S)-4-Amino-1,3,4,5-tetrahydro-3-oxo-2H-2-benzazepine-2-acetic acid;(S)-4-Amino-1,3,4,5-tetrahydro-3-oxo-2H-2-benzazepine-2-acetic acid;148842-87-9

Chemical Property of (S)-4-Amino-1,3,4,5-tetrahydro-3-oxo-2H-2-benzazepine-2-acetic acid

Chemical Property:

• XLogP3: -2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 234.10044231
• Heavy Atom Count: 17
• Complexity: 319

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1C(C(=O)N(CC2=CC=CC=C21)CC(=O)O)N
• Isomeric SMILES: C1[C@@H](C(=O)N(CC2=CC=CC=C21)CC(=O)O)N

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