Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzoate--hydrogen chloride (1/1)
Basic information
- CAS
4514-44-7- Standard SMILES
CCOC(=O)c1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.Cl- InChIKey
NUTGIDXDONKFRW-UHFFFAOYSA-N- Molecular formula
- C14H20ClN5O2
- Average molar mass
- 325.79 g/mol
- Monoisotopic mass
- 325.1305526
Names & identifiers
- Preferred name
- Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzoate--hydrogen chloride (1/1)
- IUPAC
- ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate;hydrochloride
Names & synonyms
4514-44-7DTXSID80712775NSC38332NSC-38332Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
4514-44-7- PubChem CID
- 54599461
- DTXSID
DTXSID80712775
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 464
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Compound notes
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