Basic information
- CAS
13676-49-8- Standard SMILES
Nc1cccc(-c2nc3ccc(N)cc3[nH]2)c1- InChIKey
QCILMAMLEHOLRX-UHFFFAOYSA-N- Molecular formula
- C13H12N4
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.1061964
Names & identifiers
- Preferred name
- 2-(3-Aminophenyl)-1H-benzo[d]imidazol-5-amine
- IUPAC
- 2-(3-aminophenyl)-3H-benzimidazol-5-amine
- English name
- 2-(3-aminophenyl)-5-aminobenzimidazole
- Molecular formula
- C13H12N4
- Molecular weight
- 224.26
Names & synonyms
2-(3-Aminophenyl)-1H-benzo[d]imidazol-5-amine2-(3-aminophenyl)-1h-benzimidazol-6-amine2-(3-Aminophenyl)-1H-benzo(d)imidazol-5-amineRefChem:455102988-207-013676-49-82-(3-Aminophenyl)-1H-benzo[d]imidazol-6-amine2-(3-aminophenyl)-3H-benzimidazol-5-amine2-(3-aminophenyl)-5-aminobenzimidazoleMFCD138747431H-Benzimidazol-5-amine, 2-(3-aminophenyl)-1H-Benzimidazol-6-amine, 2-(3-aminophenyl)-
Show more names
2,3,5-ABA5-amino-2-(3-aminophenyl)benzodiazol3-(3-aminophenyl)-5-aminobenzimidazole2-(3'-aminophenyI)- -5- -aminobenzimidazole2-(3-aminophenyl)-5-aminobenzimidazole(2,3,5-ABA)
1233518-22-3Oprea1_149177Oprea1_219714SCHEMBL9767334SCHEMBL9767339SCHEMBL29377327SCHEMBL29596534SCHEMBL29906364
Database identifiers
- CAS
13676-49-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 562.7 · 562.7±56.0 °C(Predicted)
- Density
- 1.359 · 1.359±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.89 · 10.89±0.10(Predicted)
- color
- Pale Beige to Pale Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers62 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
中节能万润股份有限公司0535-6101880 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
济南朗化化工有限公司0531-85906691 18660816586 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…