5-Chloro-2-(pyrrolidin-1-yl)aniline hydrochloride
Basic information
- CAS
1177348-11-6- Standard SMILES
Cl.Nc1cc(Cl)ccc1N1CCCC1- InChIKey
NBRLXSWJHZSKCR-UHFFFAOYSA-N- Molecular formula
- C10H14Cl2N2
- Average molar mass
- 233.13 g/mol
- Monoisotopic mass
- 232.0534038
Names & identifiers
- Preferred name
- 5-Chloro-2-(pyrrolidin-1-yl)aniline hydrochloride
- IUPAC
- 5-chloro-2-pyrrolidin-1-ylaniline;hydrochloride
- English name
- 5-Chloro-2-pyrrolidin-1-ylaniline
- Molecular formula
- C10H13ClN2
- Molecular weight
- 196.68
Names & synonyms
5-chloro-2-(pyrrolidin-1-yl)aniline hydrochloride1052547-63-3Benzenamine, 5-chloro-2-(1-pyrrolidinyl)-, hydrochloride (1:1)MFCD071987375-chloro-2-pyrrolidin-1-ylaniline;hydrochloride(5-Chloro-2-pyrrolidin-1-ylphenyl)amine hydrochlorideMLS001004615CHEMBL1378276AKOS015846428SMR000348145CS-0307859EN300-09131
Show more names
AKOS B022002AKOS BBS-00004648CHEMBRDG-BB 4012425ART-CHEM-BB B0220025-Chloro-2-pyrrolidin-1-ylaniline
H469205-chloro-2-pyrrolidin-1-yl-aniline;hydrochlorideZ56969645
Database identifiers
- CAS
1177348-11-6- PubChem CID
- 16196166
- ChEMBL
CHEMBL1378276
Properties
Computed structural properties
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
Solubility10.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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