Glycine, N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-, compd. with morpholine (1:1)
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Basic information
- CAS
180179-64-0- Standard SMILES
C1COCCN1.O=C(O)CNC1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
GBXXHPUYVBOCQW-UHFFFAOYSA-N- Molecular formula
- C16H17ClN2O5
- Average molar mass
- 352.77 g/mol
- Monoisotopic mass
- 352.0825993
Names & identifiers
- Preferred name
- Glycine, N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-, compd. with morpholine (1:1)
- IUPAC
- 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid;morpholine
- English name
- Glycine, N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-, compd. wi th morpholine (1:1)
- Molecular formula
- C16H17ClN2O5
- Molecular weight
- 352.76958
Names & synonyms
180179-64-0DTXSID50170924RefChem:346476DTXCID60934152-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid;morpholineN-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)glycine--morpholine (1/1)Glycine, N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-, compd. wi th morpholine (1:1)
Database identifiers
- CAS
180179-64-0- PubChem CID
- 3075403
- DTXSID
DTXSID50170924
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
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Compound notes
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