Basic information
- CAS
1772-40-3- Standard SMILES
Cl.Nc1ccc2nc[nH]c2c1- InChIKey
JBBDFXOCBQKHMN-UHFFFAOYSA-N- Molecular formula
- C7H8ClN3
- Average molar mass
- 169.61 g/mol
- Monoisotopic mass
- 169.040675
Names & identifiers
- Preferred name
- 5-Aminobenzimidazole hydrochloride
- IUPAC
- 3H-benzimidazol-5-amine;hydrochloride
- English name
- 5-Aminobenzimidazole
- Molecular formula
- C7H7N3
- Molecular weight
- 133.15
Names & synonyms
55299-95-15-Aminobenzimidazole hydrochlorideRefChem:9132541772-40-31H-Benzo[d]imidazol-6-amine hydrochloride3H-benzimidazol-5-amine hydrochloride1H-1,3-BENZODIAZOL-5-AMINE HYDROCHLORIDE1H-Benzo[d]imidazol-5-amine hydrochlorideMFCD00137182NSC1706483H-benzimidazol-5-amine;hydrochlorideMLS000717857
Show more names
1H-benzo[d]imidazol-5-amine1H-BENZIMIDAZOL-5-YLAMINE5-Amino benzimmidazole HCL1H-BENZOIMIDAZOL-5-YLAMINE1H-1,3-BENZIMIDAZOL-5-AMINE5-Aminobenzimidazolehydrochloride1H-benzo[d]imidazol-5-amine dihydrochloride
3H-Benzimidazol-5-amine HCl934-22-5(free base)SCHEMBL2227020SCHEMBL5180321CHEMBL13269575-Aminobenzimidazole hydrochloricDTXSID30332649NSC11998
Database identifiers
- CAS
1772-40-3、55299-95-1- PubChem CID
- 459458
- DTXSID
DTXSID30332649- ChEMBL
CHEMBL1326957- EC Number
- 672-203-8
Properties
Computed structural properties
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 95 · 95-113°C
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- Brown to black Solid
- 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
- C12C=CC(N)=CC=1N=CN2
- FDA UNII
- 7 L7289019S · 7L7289019S
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HazardClass
- IRRITANT
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers64 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
上海先诺生物科技有限公司021-50718719 13918719472
上海渤腾医药科技有限公司13524892556 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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