3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline
Basic information
- CAS
247225-33-8- Standard SMILES
Cc1ccc(C)n1-c1cccc(N)c1- InChIKey
PFZUTDHSWLXVSZ-UHFFFAOYSA-N- Molecular formula
- C12H14N2
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.11569846
Names & identifiers
- Preferred name
- 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline
- IUPAC
- 3-(2,5-dimethylpyrrol-1-yl)aniline
- English name
- 1-(3-Aminophenyl)-2,5-dimethylpyrrole
- Molecular formula
- C12H14N2
- Molecular weight
- 186.25
Names & synonyms
247225-33-83-(2,5-dimethyl-1H-pyrrol-1-yl)anilineDTXSID70349458RefChem:273454DTXCID10300528696-462-13-(2,5-dimethylpyrrol-1-yl)aniline1-(3-Aminophenyl)-2,5-dimethylpyrroleMFCD01125302Benzenamine, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2,5-dimethylpyrrolyl)phenylamine3-(2,5-Dimethyl-pyrrol-1-yl)-phenylamine
Show more names
TIMTEC-BB SBB0107493-(2,5-dimethyl-1H-pyrrol-1-yl)aniline(SALTDATA: FREE)
ChemDiv3_001082Oprea1_066748Oprea1_367792MLS000029633CHEMBL1384308SCHEMBL13779281HMS1476B04XJA22533
Database identifiers
- CAS
247225-33-8- PubChem CID
- 648465
- DTXSID
DTXSID70349458- ChEMBL
CHEMBL1384308- EC Number
- 696-462-1
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 31 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- form
- solid
- InChI
- InChI=1S/C12H14N2/c1-9-6-7-10(2)14(9)12-5-3-4-11(13)8-12/h3-8H,13H2,1-2H3
- InChIKey
- PFZUTDHSWLXVSZ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=CC(N2C(C)=CC=C2C)=C1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
- Storage Class
- 11 · 11 - Combustible Solids
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
Danger
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933998090
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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