5H-Imidazo[1,5-a][1,4]diazepine-8(9H)-carboxylic acid, 6-(aminomethyl)-6,7-dihydro-, 1,1-dimethylethyl ester
Basic information
- CAS
1251012-13-1- Standard SMILES
CC(C)(C)OC(=O)N1Cc2cncn2CC(CN)C1- InChIKey
YJZSMXLMPWIHMI-UHFFFAOYSA-N- Molecular formula
- C13H22N4O2
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.17427596
Names & identifiers
- Preferred name
- 5H-Imidazo[1,5-a][1,4]diazepine-8(9H)-carboxylic acid, 6-(aminomethyl)-6,7-dihydro-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 6-(aminomethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxylate
Names & synonyms
DTXSID2011093161251012-13-15H-Imidazo[1,5-a][1,4]diazepine-8(9H)-carboxylic acid, 6-(aminomethyl)-6,7-dihydro-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1251012-13-1- PubChem CID
- 165367494
- DTXSID
DTXSID201109316
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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