Basic information
- CAS
55661-34-2- Standard SMILES
NCCn1cnc2ccccc21- InChIKey
LXZGUUDIJIOTJB-UHFFFAOYSA-N- Molecular formula
- C9H11N3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.09529736
Names & identifiers
- Preferred name
- 2-(1H-1,3-benzodiazol-1-yl)ethan-1-amine
- IUPAC
- 2-(benzimidazol-1-yl)ethanamine
- English name
- 1H-Benzimidazole-1-ethanamine(9CI)
- Molecular formula
- C9H11N3
- Molecular weight
- 161.2
Names & synonyms
2-(1H-1,3-BENZODIAZOL-1-YL)ETHAN-1-AMINERefChem:451353831-002-755661-34-22-(1H-Benzimidazol-1-yl)ethanamine2-(benzimidazol-1-yl)ethanamineBENZIMIDAZOLE, 1-(2-AMINOETHYL)-112947-93-02-(1H-Benzo[d]imidazol-1-yl)ethanamine1-(2-Aminoethyl)benzimidazole1H-Benzimidazole-1-ethanamine(9CI)MFCD01050197
Show more names
1H-BenziMidazole-1-ethanaMineMFCD129128232-(benzimidazol-1-yl)ethylamine
2-(1H-benzo[d]imidazol-1-yl)ethan-1-amine2-(1H-benzimidazol-1-yl)ethanamine dihydrochlorideBRN 01319314-23-00-01082 (Beilstein Handbook Reference)SCHEMBL825596SCHEMBL50003722-(1-Benzimidazolyl)ethanaminebenzimidazole, (2-aminoethyl)-
Database identifiers
- CAS
55661-34-2- PubChem CID
- 41504
- DTXSID
DTXSID20204184- EC Number
- 831-002-7
- Nikkaji
- J62.258C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- 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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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