4-chloro-N-(pyridin-3-ylmethyl)aniline
Basic information
- CAS
29083-43-0- Standard SMILES
Clc1ccc(NCc2cccnc2)cc1- InChIKey
MLOJAKGCMJIRQY-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2
- Average molar mass
- 218.68 g/mol
- Monoisotopic mass
- 218.0610761
Names & identifiers
- Preferred name
- 4-chloro-N-(pyridin-3-ylmethyl)aniline
- IUPAC
- 4-chloro-N-(pyridin-3-ylmethyl)aniline
- English name
- 4-chloro-N-(pyridin-3-ylmethyl)aniline
- Molecular formula
- C12H11ClN2
- Molecular weight
- 218.68
Names & synonyms
4-chloro-N-(pyridin-3-ylmethyl)aniline29083-43-0MFCD001780074-chloro-N-[(pyridin-3-yl)methyl]anilineCDS1_000464Maybridge1_002752Oprea1_432281MLS001181595DivK1c_001504CHEMBL1388697SCHEMBL10561769HMS549F02
Show more names
3-Pyridinemethanamine, N-(4-chlorophenyl)-
MLOJAKGCMJIRQY-UHFFFAOYSA-NDTXSID001324322HMS2861G174-chloro-N-(3-pyridylmethyl)anilineSTK5108993-(4-chlorophenylaminomethyl)pyridineAKOS000235420BS-45707
Database identifiers
- CAS
29083-43-0- PubChem CID
- 2804545
- DTXSID
DTXSID001324322- ChEMBL
CHEMBL1388697- EC Number
- 154-979-5
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
Solubility29.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
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, P317, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Related reactions
12 records
Compound notes
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