Basic information
- CAS
70978-35-7- Standard SMILES
CCOC(=O)c1nnnn1Cc1ccc(OC)cc1- InChIKey
BDPVPSDZJZVQAN-UHFFFAOYSA-N- Molecular formula
- C12H14N4O3
- Average molar mass
- 262.26 g/mol
Names & identifiers
- Preferred name
- ethyl 1-(4-methoxybenzyl)-1H-tetrazole-5-carboxylate
- IUPAC
- ethyl 1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylate
- English name
- Ethyl 1-(4-methoxybenzyl)-1H-tetrazole-5-carboxylate
- Molecular formula
- C12H14N4O3
- Molecular weight
- 262.26
Names & synonyms
70978-35-7ethyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazole-5-carboxylateethyl1-(4-methoxybenzyl)-1H-tetrazole-5-carboxylateethyl 1-(4-methoxybenzyl)-1H-tetrazole-5-carboxylateSCHEMBL5912674BDPVPSDZJZVQAN-UHFFFAOYSA-NAKOS017871204DA-033791-(p-methoxybenzyl)-5-carboethoxy tetrazoleEthyl 1-(4-methoxybenzyl)tetrazole-5-carboxylate1H-Tetrazole-5-carboxylic acid, 1-[(4-methoxyphenyl)methyl]-, ethyl ester
Database identifiers
- CAS
70978-35-7- Nikkaji
- J2.475.539H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 51 · 51-53 °C
- Boiling point
- 433.3 · 433.3±47.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 0.12 · 0.12±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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