Basic information
- CAS
876897-21-1- Standard SMILES
CCN(CC)c1ccc(CNc2nnnn2C)cc1- InChIKey
CTSAXBZFDVQFTN-UHFFFAOYSA-N- Molecular formula
- C13H20N6
- Average molar mass
- 260.34 g/mol
- Monoisotopic mass
- 260.17494466
Names & identifiers
- Preferred name
- N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine
- IUPAC
- N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine
Names & synonyms
N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine876897-21-1N-{[4-(DIETHYLAMINO)PHENYL]METHYL}-1-METHYL-1,2,3,4-TETRAZOL-5-AMINEN-[4-(diethylamino)benzyl]-1-methyl-1H-tetrazol-5-amineN-(4-(DIETHYLAMINO)BENZYL)-1-METHYL-1H-TETRAZOL-5-AMINEMLS001208670CHEMBL1712233(4-Diethylamino-benzyl)-(1-methyl-1H-tetrazol-5-yl)-amineDTXSID101325197HMS2814N21STK510486AKOS000284744
Show more names
SMR000524901ST50316162N-{[4-(Diethylamino)phenyl]methyl}-1-methyl-1H-tetrazol-5-amine
Database identifiers
- CAS
876897-21-1- PubChem CID
- 4725596
- DTXSID
DTXSID101325197- ChEMBL
CHEMBL1712233
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
Solubility19.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…