Basic information
- CAS
6504-85-4- Standard SMILES
O=C(O)CNc1nc(Cl)nc(NCC(=O)O)n1- InChIKey
QACJNLFCDPDUNE-UHFFFAOYSA-N- Molecular formula
- C7H8ClN5O4
- Average molar mass
- 261.62 g/mol
- Monoisotopic mass
- 261.0264814
Names & identifiers
- Preferred name
- Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-
- IUPAC
- 2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid
Names & synonyms
6504-85-4GLYCINE, N,N'-(6-CHLORO-s-TRIAZINE-2,4-DIYL)DI-BRN 0303422N,N'-(6-Chloro-s-triazin-2,4-ylene)diglycineDTXSID902153634-26-00-01214 (Beilstein Handbook Reference)NSC 257881RefChem:346295DTXCID90137854NSC257881SCHEMBL9438755NSC-257881
Show more names
66827-39-22,2'-[(6-Chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl)]diacetic acid
Database identifiers
- CAS
6504-85-4- PubChem CID
- 23007
- DTXSID
DTXSID90215363- Nikkaji
- J85.229E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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