Basic information
- CAS
4499-07-4- Standard SMILES
Cl.Cl.NCCc1nc2ccccc2[nH]1- InChIKey
LKFGBWROFLZYQJ-UHFFFAOYSA-N- Molecular formula
- C9H13Cl2N3
- Average molar mass
- 234.12 g/mol
- Monoisotopic mass
- 233.04865278
Names & identifiers
- Preferred name
- 2-(2-Aminoethyl)benzimidazole dihydrochloride
- IUPAC
- 2-(1H-benzimidazol-2-yl)ethanamine;dihydrochloride
- English name
- 1H-Benzimidazole-2-ethanamine dihydrochloride,
- Molecular formula
- C9H13Cl2N3
- Molecular weight
- 234.12562
Names & synonyms
2-(2-AMINOETHYL)BENZIMIDAZOLE DIHYDROCHLORIDERefChem:453304624-754-04499-07-42-(1H-Benzo[d]imidazol-2-yl)ethanamine dihydrochloride2-(1H-benzimidazol-2-yl)ethanamine dihydrochlorideMFCD013250812-(1H-Benzoimidazol-2-yl)ethylamine dihydrochloride2-(2-Aminoethyl)benzoimidazole Dihydrochloride2-(1H-benzo[d]imidazol-2-yl)ethan-1-amine dihydrochloride2-(1H-BENZOIMIDAZOL-2-YL)-ETHYLAMINE DIHYDROCHLORIDE1H-BENZIMIDAZOLE-2-ETHANAMINE DIHYDROCHLORIDE, 97
Show more names
1H-Benzimidazole-2-ethanamine2-(2-Aminoethyl)benzoimidazole1H-Benzimidazole-2-ethanamine 2HCL2-(1H-benzimidazol-2-yl)ethylazanium1H-benzimidazole-2-ethylamine dihydrochloride2-(2-AMinoethyl)benziMidazole dihydrochloride 97%1H-Benzimidazole-2-ethanamine,hydrochloride (1:2)
2-(1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride2-(1H-benzimidazol-2-yl)ethanamine;dihydrochloride5620-45-11H-BENZIMIDAZOLE-2-ETHANAMINE DIHYDROCHLORIDE2-benzimidazol-2-ylethylamine, chloride, chloride1H-Benzimidazole-2-ethanamine, dihydrochlorideF1399-0004SCHEMBL2454024
Properties
Computed structural properties
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 235 °C · 235 °C
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- Light brown to off-white Solid
- InChI
- 1S/C9H11N3.2ClH/c10-6-5-9-11-7-3-1-2-4-8(7)12-9;;/h1-4H,5-6,10H2,(H,11,12);2*1H
- InChIKey
- LKFGBWROFLZYQJ-UHFFFAOYSA-N
- SMILES
- Cl.Cl.NCCc1nc2ccccc2[nH]1
- CAS DataBase Reference
- 4499 · 4499-07-4
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P301+P312+P330-P305+P351+P338+P310
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339980
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P301+P312+P330-P305+P351+P338+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers53 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海瑞上医药科技有限公司+86-021-54326183-8001 +86-18917565227 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Related reactions
7 records
Compound notes
Loading…