Tert-butyl 7-butyl-1,4-diazepane-1-carboxylate
Basic information
- CAS
935843-95-1- Standard SMILES
CCCCC1CCNCCN1C(=O)OC(C)(C)C- InChIKey
AXOFARAAWZZCFQ-UHFFFAOYSA-N- Molecular formula
- C14H28N2O2
- Average molar mass
- 256.38 g/mol
- Monoisotopic mass
- 256.21507814
Names & identifiers
- Preferred name
- Tert-butyl 7-butyl-1,4-diazepane-1-carboxylate
- IUPAC
- tert-butyl 7-butyl-1,4-diazepane-1-carboxylate
Names & synonyms
tert-butyl 7-butyl-1,4-diazepane-1-carboxylateDTXSID9011696061,1-Dimethylethyl 7-butylhexahydro-1H-1,4-diazepine-1-carboxylate935843-95-1
Database identifiers
- CAS
935843-95-1- PubChem CID
- 102401237
- DTXSID
DTXSID901169606- Nikkaji
- J2.436.452F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
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Compound notes
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