Basic information
- CAS
4157-74-8- Standard SMILES
CCCCN(CCCl)c1ccc(C=O)cc1- InChIKey
LYOQXOPZIYLCTJ-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.1076919
Names & identifiers
- Preferred name
- p-(Butyl(2-chloroethyl)amino)benzaldehyde
- IUPAC
- 4-[butyl(2-chloroethyl)amino]benzaldehyde
- English name
- p-[butyl(2-chloroethyl)amino]benzaldehyde
- Molecular formula
- C13H18ClNO
- Molecular weight
- 239.74112
Names & synonyms
4-[butyl(2-chloroethyl)amino]benzaldehydep-(Butyl(2-chloroethyl)amino)benzaldehyde4157-74-8p-[butyl(2-chloroethyl)amino]benzaldehydeEINECS 223-990-8SCHEMBL11089785DTXSID00194413LYOQXOPZIYLCTJ-UHFFFAOYSA-NNS000310094-(N-butyl-N-(2-chloroethyl)amino)benzaldehyde
Database identifiers
- CAS
4157-74-8- PubChem CID
- 77807
- DTXSID
DTXSID00194413- EC Number
- 223-990-8
- Nikkaji
- J224.956A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 190
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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