5-Aminobenzimidazole
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Basic information
- CAS
934-22-5- Standard SMILES
Nc1ccc2nc[nH]c2c1- InChIKey
WFRXSXUDWCVSPI-UHFFFAOYSA-N- Molecular formula
- C7H7N3
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.06399722
Overview
RN given refers to parent cpd; structure given in first source; inhibits gastric secretions in rats
Names & identifiers
- Preferred name
- 5-Aminobenzimidazole
- IUPAC
- 3H-benzimidazol-5-amine
- English name
- 5-Aminobenzimidazole
- Molecular formula
- C7H7N3
- Molecular weight
- 133.15
Names & synonyms
5-Aminobenzimidazole934-22-56-Aminobenzimidazole1H-Benzimidazol-5-amineBENZIMIDAZOLE, 5-AMINO-NSC-2316127L7289019SDTXSID70239406RefChem:101985DTXCID50161897213-279-01H-Benzo[d]imidazol-6-amine
Show more names
NSC 231612TIMTEC-BB SBB0101455-amino-benzimidazol6-amino-benzimidazol
1H-1,3-benzodiazol-5-amine1H-Benzoimidazol-5-ylamine1h-benzo[d]imidazol-5-amine3H-BENZOIMIDAZOL-5-YLAMINE3H-benzimidazol-5-amine1h-1,3-benzimidazol-5-amine1H-Benzimidazol-6-amineBenzimidazol-5-ylamine
Database identifiers
- CAS
934-22-5- PubChem CID
- 13623
- DTXSID
DTXSID70239406- ChEMBL
CHEMBL1617811- UNII
- 7L7289019S
- EC Number
- 213-279-0
- Nikkaji
- J3.654D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 163 · 163-168 °C
- Boiling point
- 222 °C/3.5mmHg · 222°C/3.5mmHg(lit.)
- Density
- 1.367 · 1.367
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- slightly sol. in Methanol
- form
- powder to crystal
- pka
- 14.47 · 14.47±0.30(Predicted)
- color
- Light yellow to Brown
- λmax
- 300 nm · 300nm(EtOH)(lit.)
- InChI
- InChI=1S/C7H7N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2,(H,9,10)
- InChIKey
- WFRXSXUDWCVSPI-UHFFFAOYSA-N
- SMILES
- C1NC2=CC(N)=CC=C2N=1
- CAS DataBase Reference
- 934 · 934-22-5(CAS DataBase Reference)
- FDA UNII
- 7 L7289019S · 7L7289019S
- UNSPSC Code
- 12352200 · 12352200
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
This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.
Warning
H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (93.2%)
Safety data
- wgk
- 3
- rtecs
- DD5785000
- hs_code
- 2933998090
- risk_code
- 36/37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Applications
Uses5-Aminobenzimidazole is a useful research chemical. It inhibits gastric acid secretion in Shay-rats. Urinary metabolite of cambendazole.
Upstream & downstream products
Upstream raw materials
Related reactions
167 records
Compound notes
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