3-Amino-4-chloro-5-(morpholinomethyl)benzonitrile
Basic information
- Standard SMILES
N#Cc1cc(N)c(Cl)c(CN2CCOCC2)c1- InChIKey
MTWCAFAHTDSTPW-UHFFFAOYSA-N- Molecular formula
- C12H14ClN3O
- Average molar mass
- 251.71 g/mol
- Monoisotopic mass
- 251.0825398
Names & identifiers
- Preferred name
- 3-Amino-4-chloro-5-(morpholinomethyl)benzonitrile
- IUPAC
- 3-amino-4-chloro-5-(morpholin-4-ylmethyl)benzonitrile
Names & synonyms
3-amino-4-chloro-5-(morpholinomethyl)benzonitrileSCHEMBL15407658MTWCAFAHTDSTPW-UHFFFAOYSA-NDB-1832471541255-83-7
Database identifiers
- PubChem CID
- 86708656
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
4 records
Compound notes
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