Basic information
- CAS
27077-15-2- Standard SMILES
CCCCOc1ccc(N(CCCl)CCCl)cc1- InChIKey
FCMYHWFGMCDHDW-UHFFFAOYSA-N- Molecular formula
- C14H21Cl2NO
- Average molar mass
- 290.2 g/mol
- Monoisotopic mass
- 289.1000197
Names & identifiers
- Preferred name
- Aniline, N,N-bis(2-chloroethyl)-p-butoxy-
- IUPAC
- 4-butoxy-N,N-bis(2-chloroethyl)aniline
- English name
- N,N-Bis(2-chloroethyl)-p-butoxyaniline
- Molecular formula
- C14H21Cl2NO
- Molecular weight
- 290.23
Names & synonyms
N,N-Bis(2-chloroethyl)-p-butoxyanilineANILINE, N,N-BIS(2-CHLOROETHYL)-p-BUTOXY-27077-15-2BRN 2978865Aniline, p-butoxy-N,N-bis(2-chloroethyl)-Benzenamine, 4-butoxy-N,N-bis(2-chloroethyl)-p-N,N-Bis(2-chloroethyl)aminophenol butyl etherDTXSID00181540RefChem:319628DTXCID40104031Aniline, p-butoxy-N,N-bis(2-chloroethyl)-(8CI)Benzenamine, 4-butoxy-N,N-bis(2-chloroethyl)-(9CI)
Show more names
NSC 438144-butoxy-N,N-bis(2-chloroethyl)anilineA 20445CHEMBL3246968SCHEMBL12421704NSC43814NSC-43814
Database identifiers
- CAS
27077-15-2- PubChem CID
- 33689
- DTXSID
DTXSID00181540- ChEMBL
CHEMBL3246968- Nikkaji
- J60.393G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 400.5 · 400.5±40.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- pka
- 5.09 · 5.09±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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