4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline
Basic information
- CAS
52708-32-4- Standard SMILES
Cc1cc(C)n(-c2ccc(N)cc2)n1- InChIKey
BKLODFMZXGBJAE-UHFFFAOYSA-N- Molecular formula
- C11H13N3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.11094743
Names & identifiers
- Preferred name
- 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline
- IUPAC
- 4-(3,5-dimethylpyrazol-1-yl)aniline
- English name
- 4-(3,5-Dimethyl-pyrazol-1-yl)-phenylamine
- Molecular formula
- C11H13N3
- Molecular weight
- 187.24
Names & synonyms
4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline52708-32-4DTXSID80351941RefChem:287501DTXCID403030074-(3,5-dimethylpyrazol-1-yl)anilineMFCD006617464-(3,5-Dimethyl-1-pyrazolyl)aniline[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]amine4-(3,5-dimethylpyrazolyl)phenylamine4-(3,5-Dimethyl-pyrazol-1-yl)-phenylamineMaybridge3_006503
Show more names
AKOS B029640Compound Fr12591CHEMBRDG-BB 4005790TIMTEC-BB SBB0107671-(4-Aminophenyl)-3,5-dimethyl-1H-pyrazole3,5-dimethyl-1-(4'-aminophenyl)-1H-pyrazole
orb3169978SCHEMBL1353576BKLODFMZXGBJAE-UHFFFAOYSA-NHMS1449H13Fr12591AC6298CCG-46048SBB010767
Database identifiers
- CAS
52708-32-4- PubChem CID
- 714550
- DTXSID
DTXSID80351941- Nikkaji
- J3.581.579A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- solid
- color
- off white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- HS Code
- 2933199090 · 2933199090
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
- hs_code
- 2933199090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
5 records
Compound notes
Loading…