Basic information
- CAS
53817-39-3- Standard SMILES
CCCCN(CCCl)c1ccccc1- InChIKey
NBTVRDMLLMEWOF-UHFFFAOYSA-N- Molecular formula
- C12H18ClN
- Average molar mass
- 211.73 g/mol
- Monoisotopic mass
- 211.1127773
Names & identifiers
- Preferred name
- N-butyl-N-(2-chloroethyl)aniline
- IUPAC
- N-butyl-N-(2-chloroethyl)aniline
- English name
- N-butyl-N-(2-chloroethyl)aniline
- Molecular formula
- C12H18ClN
- Molecular weight
- 211.73
Names & synonyms
N-Butyl-N-(2-chloroethyl)anilineEINECS 258-801-8BU4WU6CS2BN-Butyl-N-(2-chloroethyl)benzenamineDTXSID70202094Benzenamine, N-butyl-N-(2-chloroethyl)-RefChem:163047DTXCID70124585258-801-853817-39-3UNII-BU4WU6CS2BSCHEMBL1438703
Show more names
N-Butyl-N-(2-chloroethyl)aminobenzene
NBTVRDMLLMEWOF-UHFFFAOYSA-NAKOS013911491DB-321031NS00032850
Database identifiers
- CAS
53817-39-3- PubChem CID
- 104615
- DTXSID
DTXSID70202094- UNII
- BU4WU6CS2B
- EC Number
- 258-801-8
- Nikkaji
- J279.514K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- FDA UNII
- 4 WU6CS2B · BU4WU6CS2B
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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