Basic information
- CAS
73987-06-1- Standard SMILES
CCC1(N)COC(c2ccc(Cl)cc2)OC1- InChIKey
KRENEBVXXOIAOY-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO2
- Average molar mass
- 241.71 g/mol
- Monoisotopic mass
- 241.0869564
Names & identifiers
- Preferred name
- m-Dioxan-5-amine, 2-(p-chlorophenyl)-5-ethyl-
- IUPAC
- 2-(4-chlorophenyl)-5-ethyl-1,3-dioxan-5-amine
Names & synonyms
73987-06-1m-DIOXAN-5-AMINE, 2-(p-CHLOROPHENYL)-5-ETHYL-5-Amino-5-ethyl-2-p-chlorophenyl-1,3-dioxaneDTXSID30224757RefChem:351548DTXCID601472482-(4-chlorophenyl)-5-ethyl-1,3-dioxan-5-aminestarbld0011810orb1985658AKOS040752972T33250
Database identifiers
- CAS
73987-06-1- PubChem CID
- 52840
- DTXSID
DTXSID30224757- Nikkaji
- J69.172K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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