Basic information
- CAS
1251017-78-3- Standard SMILES
CC(C)(C)OC(=O)N1Cc2cccn2CC(CN)C1- InChIKey
ACYFDLCLOCUIEH-UHFFFAOYSA-N- Molecular formula
- C14H23N3O2
- Average molar mass
- 265.35 g/mol
- Monoisotopic mass
- 265.17902698
Names & identifiers
- Preferred name
- 1H-Pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylic acid, 4-(aminomethyl)-4,5-dihydro-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 4-(aminomethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxylate
Names & synonyms
DTXSID7011092301251017-78-31H-Pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylic acid, 4-(aminomethyl)-4,5-dihydro-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1251017-78-3- PubChem CID
- 165367486
- DTXSID
DTXSID701109230
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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