3-Chloro-2-(4-methylpiperidin-1-yl)aniline
Basic information
- CAS
842965-35-9- Standard SMILES
CC1CCN(c2c(N)cccc2Cl)CC1- InChIKey
SIANBLRPQFBPBJ-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2
- Average molar mass
- 224.73 g/mol
- Monoisotopic mass
- 224.1080262
Names & identifiers
- Preferred name
- 3-Chloro-2-(4-methylpiperidin-1-yl)aniline
- IUPAC
- 3-chloro-2-(4-methylpiperidin-1-yl)aniline
- English name
- 3-Chloro-2-(4-methyl-piperidin-1-yl)-phenylamine
- Molecular formula
- C12H17ClN2
- Molecular weight
- 224.73
Names & synonyms
842965-35-93-chloro-2-(4-methylpiperidin-1-yl)aniline3-Chloro-2-(4-methyl-piperidin-1-yl)-phenylamine3-CHLORO-2-(4-METHYL-1-PIPERIDINYL)ANILINEMFCD060102553-Chloro-2-(4-methyl-1-piperidyl)anilineTimTec1_008156AKOS BBV-013489SCHEMBL23043670SCHEMBL29978530DTXSID80360114AKOS B034275
Show more names
Benzenamine, 3-chloro-2-(4-methyl-1-piperidinyl)-3-chloro-2-(4-methyl-1-piperidinyl)aniline(SALTDATA: FREE)
ART-CHEM-BB B034275CHEMBRDG-BB 9070178HMS1557C16HTS13695UKRORGSYN-BB BBV-013489SBB085523AKOS000102069SB43179
Database identifiers
- CAS
842965-35-9- PubChem CID
- 1079271
- DTXSID
DTXSID80360114
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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