4-(3-Aminophenyl)-1,3-thiazol-2-amine
Basic information
- CAS
103740-34-7- Standard SMILES
Nc1cccc(-c2csc(N)n2)c1- InChIKey
NCWQWEQGANDQFS-UHFFFAOYSA-N- Molecular formula
- C9H9N3S
- Average molar mass
- 191.26 g/mol
- Monoisotopic mass
- 191.05171847
Names & identifiers
- Preferred name
- 4-(3-Aminophenyl)-1,3-thiazol-2-amine
- IUPAC
- 4-(3-aminophenyl)-1,3-thiazol-2-amine
- English name
- 4-(3-Amino-phenyl)-thiazol-2-ylamine
- Molecular formula
- C9H9N3S
- Molecular weight
- 191.25
Names & synonyms
4-(3-aminophenyl)-1,3-thiazol-2-amineRefChem:513035673-355-8103740-34-74-(3-Amino-phenyl)-thiazol-2-ylamine4-(3-Aminophenyl)thiazol-2-amine2-thiazolamine, 4-(3-aminophenyl)-MFCD030155842-Amino-4-(m-aminophenyl)thiazoleNSC38926Oprea1_619907SCHEMBL4636395
Show more names
[3-(2-aminothiazol-4-yl)phenyl]amine
CHEMBL3410178DTXSID90284776HMS1609B05HMS3428C174-(3-aminophenyl)-2-thiazolamine2-amino-4-(3-aminophenyl)thiazoleALBB-0213544-(3-Aminophenyl)thiazol-2-ylamine
Database identifiers
- CAS
103740-34-7- PubChem CID
- 236428
- DTXSID
DTXSID90284776- ChEMBL
CHEMBL3410178- EC Number
- 673-355-8
- Nikkaji
- J3.238.193F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 165 · 165-166 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 458 · 458.0±28.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.54 · 4.54±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H315-H335-H312-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H315-H335-H312-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Applications
Uses4-(3-Amino-phenyl)-thiazol-2-ylamine is used as a reactant in the synthesis of novel 2-aminothiazole conjugated nitrofuran as antitubercular and antibacterial agents.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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