Basic information
- CAS
29168-87-4- Standard SMILES
COC(=O)c1ccc(N=NN(C)C)cc1- InChIKey
QBIUIDQLFKGAPD-UHFFFAOYSA-N- Molecular formula
- C10H13N3O2
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.10077667
Names & identifiers
- Preferred name
- Methyl 4-(3,3-dimethyl-1-triazen-1-yl)benzoate
- IUPAC
- methyl 4-(dimethylaminodiazenyl)benzoate
- English name
- p-(3,3-Dimethyl-1-triazeno)benzoic acid methyl ester
- Molecular formula
- C10H13N3O2
- Molecular weight
- 207.23
Names & synonyms
29168-87-4Methyl 4-(3,3-dimethyl-1-triazen-1-yl)benzoateRefChem:355359p-(3,3-Dimethyltriazeno)benzoic acid methyl esterT34LC8MU9UBenzoic acid, 4-(3,3-dimethyl-1-triazenyl)-, methyl esterBENZOIC ACID, p-(3,3-DIMETHYLTRIAZENO)-, METHYL ESTERNSC-140016methyl 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoateNSC 140016BRN 1842290Benzoic acid, p-(3,3-dimethyl-1-triazeno)-, methyl ester
Show more names
p-(3,3-Dimethyl-1-triazeno)benzoic acid methyl esterBenzoic acid, 4-(3,3-dimethyl-1-triazen-1-yl)-, methyl ester
1-(4'-Carboxymethylphenyl)-,3,3-dimethyltriazeneNSC1400161-(4'-Karboxymethylfenyl)-3,3-dimethyltriazenu [Czech]1-(4'-Karboxymethylphenyl)-3,3-dimethyltriazen [German]UNII-T34LC8MU9U1-(4'-Karboxymethylfenyl)-3,3-dimethyltriazenu1-(4'-Karboxymethylphenyl)-3,3-dimethyltriazenCHEMBL298427
Database identifiers
- CAS
29168-87-4- PubChem CID
- 34487
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
LogP3.22
Physicochemical properties
- FDA UNII
- 34 LC8MU9U · T34LC8MU9U
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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