3-(3,3-Dimethyl-1-triazenyl)-4-methoxybenzamide
Basic information
- CAS
66974-78-5- Standard SMILES
COc1ccc(C(N)=O)cc1N=NN(C)C- InChIKey
DGNRILCIMHRIOR-UHFFFAOYSA-N- Molecular formula
- C10H14N4O2
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.1116757
Names & identifiers
- Preferred name
- 3-(3,3-Dimethyl-1-triazenyl)-4-methoxybenzamide
- IUPAC
- 3-(dimethylaminodiazenyl)-4-methoxybenzamide
Names & synonyms
66974-78-53-(3,3-Dimethyl-1-triazenyl)-4-methoxybenzamideNSC276374NSC 276374Benzamide, 3-(3,3-dimethyl-1-triazenyl)-4-methoxy-NSC-276374LB587USQ6Y3-(3,3-dimethyltriaz-1-en-1-yl)-4-methoxybenzamideCHEMBL1975481Benzamide, 3-(3,3-dimethyl-1-triazen-1-yl)-4-methoxy-DTXSID308760783-dimethylaminodiazenyl-4-methoxybenzamide
Show more names
NCI60_002249DS-0097383-[(E)-dimethylaminoazo]-4-methoxy-benzamideBenzamide,3-dimethyl-1-triazenyl)-4-methoxy-3-(3,3-Dimethyl-1-triazen-1-yl)-4-methoxybenzamide
Database identifiers
- CAS
66974-78-5- PubChem CID
- 321879
- DTXSID
DTXSID30876078- ChEMBL
CHEMBL1975481- UNII
- LB587USQ6Y
- Nikkaji
- J1.586.171A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Experimental & physicochemical properties
LogP0.44
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Compound notes
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