Basic information
- CAS
412308-45-3- Standard SMILES
Nc1cc(Cl)ccc1N1CCCCC1- InChIKey
BFOQYOCNAFPILH-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2
- Average molar mass
- 210.7 g/mol
- Monoisotopic mass
- 210.09237616
Names & identifiers
- Preferred name
- 5-Chloro-2-(piperidin-1-yl)aniline
- IUPAC
- 5-chloro-2-piperidin-1-ylaniline
- English name
- 5-Chloro-2-piperidin-1-yl-phenylamine
- Molecular formula
- C11H15ClN2
- Molecular weight
- 210.7
Names & synonyms
5-chloro-2-(piperidin-1-yl)aniline412308-45-3DTXSID30301274RefChem:302352DTXCID202524085-Chloro-2-piperidin-1-yl-phenylamine5-chloro-2-piperidin-1-ylaniline5-Chloro-2-(1-piperidinyl)aniline5-chloro-2-piperidylphenylamineMFCD02934626NSC142161TimTec1_008447
Show more names
AKOS B022001AKOS BB/0088AKOS BBS-00001428ART-CHEM-BB B022001TIMTEC-BB SBB007140Benzenamine, 5-chloro-2-(1-piperidinyl)-
Oprea1_343978MLS000710162SCHEMBL358190CHEMBL14850095-chloro-2-(1-piperidyl)anilineHMS1557P21HMS2668E04ALBB-033472
Database identifiers
- CAS
412308-45-3- PubChem CID
- 285317
- DTXSID
DTXSID30301274- ChEMBL
CHEMBL1485009
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 49.5 · 49.5-50 °C
- Boiling point
- 188 · 188-192 °C(Press: 18-20 Torr)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 6.35 · 6.35±0.11(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海智乾生物科技有限公司[email protected]
Related reactions
8 records
Compound notes
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