Basic information
- CAS
1431963-83-5- Standard SMILES
CC1CCCN(c2ccc(N)cc2Cl)C1.Cl.Cl- InChIKey
XABMTYXFECIVLE-UHFFFAOYSA-N- Molecular formula
- C12H19Cl3N2
- Average molar mass
- 297.6 g/mol
- Monoisotopic mass
- 296.061382
Names & identifiers
- Preferred name
- 3-Chloro-4-(3-methylpiperidin-1-yl)aniline dihydrochloride
- IUPAC
- 3-chloro-4-(3-methylpiperidin-1-yl)aniline;dihydrochloride
Names & synonyms
3-Chloro-4-(3-methylpiperidin-1-yl)aniline dihydrochlorideRefChem:499886847-840-11431963-83-5MFCD253710073-chloro-4-(3-methylpiperidin-1-yl)aniline;dihydrochlorideGHC96383AKOS024398428EN300-762653G431113-chloro-4-(3-methylpiperidin-1-yl)aniline,2HCl3-Chloro-4-(3-methylpiperidin-1-yl)aniline diHCl
Show more names
3-chloro-4-(3-methyl-1-piperidyl)aniline;dihydrochloride
Database identifiers
- CAS
1431963-83-5- PubChem CID
- 90486232
- EC Number
- 847-840-1
Properties
Computed structural properties
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 210
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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