Ethyl (4-methyl-1,4-diazepan-1-yl)(4-methylphenyl)acetate
Basic information
- CAS
7550-11-0- Standard SMILES
CCOC(=O)C(c1ccc(C)cc1)N1CCCN(C)CC1- InChIKey
HYRVBWFGKCMEPY-UHFFFAOYSA-N- Molecular formula
- C17H26N2O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.19942808
Names & identifiers
- Preferred name
- Ethyl (4-methyl-1,4-diazepan-1-yl)(4-methylphenyl)acetate
- IUPAC
- ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-(4-methylphenyl)acetate
Names & synonyms
7550-11-0DTXSID10996960Ethyl (4-methyl-1,4-diazepan-1-yl)(4-methylphenyl)acetateRefChem:1084681DTXCID401423970ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-(4-methylphenyl)acetateEthyl 2-(4-methyl-1,4-diazepan-1-yl)-2-(p-tolyl)acetateBRN 05433721H-1,4-Diazepine-1-acetic acid, hexahydro-4-methyl-alpha-p-tolyl-, ethyl ester4-Methyl-alpha-p-tolylhexahydro-1H-1,4-diazepine-1-acetic acid ethyl ester
Database identifiers
- CAS
7550-11-0- PubChem CID
- 202138
- DTXSID
DTXSID10996960
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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