1-butyl-N-(4-methylbenzyl)-1H-tetrazol-5-amine
Basic information
- CAS
723753-82-0- Standard SMILES
CCCCn1nnnc1NCc1ccc(C)cc1- InChIKey
BBDKKQWZXOYWQU-UHFFFAOYSA-N- Molecular formula
- C13H19N5
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.16404563
Names & identifiers
- Preferred name
- 1-butyl-N-(4-methylbenzyl)-1H-tetrazol-5-amine
- IUPAC
- 1-butyl-N-[(4-methylphenyl)methyl]tetrazol-5-amine
- English name
- 1-BUTYL-N-(4-METHYLBENZYL)-1H-TETRAZOL-5-AMINE
- Molecular formula
- C13H19N5
- Molecular weight
- 245.32
Names & synonyms
1-butyl-N-(4-methylbenzyl)-1H-tetrazol-5-amine1-butyl-N-(4-methylbenzyl)-1H-tetraazol-5-amine1-butyl-N-[(4-methylphenyl)methyl]tetrazol-5-amineMLS001178801CHEMBL1304683HMS2831H03STK511338AKOS000284545CCG-315097SMR000477224AN-465/42886555SR-01000298899
Show more names
1H-Tetrazol-5-amine, 1-butyl-N-[(4-methylphenyl)methyl]-
SR-01000298899-1
Database identifiers
- CAS
723753-82-0- PubChem CID
- 1817889
- ChEMBL
CHEMBL1304683
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
Solubility19.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 409.3 · 409.3±48.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 2.35 · 2.35±0.10(Predicted)
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Compound notes
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