Basic information
- CAS
38652-79-8- Standard SMILES
CCN(CC)CCn1c(N)nc2ccccc21- InChIKey
LNQFKLQTSNFJIH-UHFFFAOYSA-N- Molecular formula
- C13H20N4
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.16879665
Names & identifiers
- Preferred name
- 1-(2-(diethylamino)ethyl)-1H-1,3-benzodiazol-2-amine
- IUPAC
- 1-[2-(diethylamino)ethyl]benzimidazol-2-amine
- English name
- 1-(2-Diethylamino-ethyl)-1H-benzoimidazol-2-ylamine
- Molecular formula
- C13H20N4
- Molecular weight
- 232.32
Names & synonyms
1-[2-(diethylamino)ethyl]-1h-1,3-benzodiazol-2-amine1-(2-(diethylamino)ethyl)-1H-1,3-benzodiazol-2-amineRefChem:421199997-771-738652-79-81-[2-(Diethylamino)ethyl]-1H-benzimidazol-2-amine1-(2-(Diethylamino)ethyl)-1H-benzo[d]imidazol-2-amine1-(2-Diethylamino-ethyl)-1H-benzoimidazol-2-ylamineMFCD001790181-[2-(diethylamino)ethyl]benzimidazol-2-amine2-amino-1-(2-diethylaminoethyl)benzimidazole1H-Benzimidazole-1-ethanamine, 2-amino-N,N-diethyl-
Show more names
AKOS B000436TIMTEC-BB SBB009170ART-CHEM-BB B0004361-(2-diethylaminoethyl)benzimidazol-2-amine1-(2-diethylaminoethyl)-2-benzimidazolamine1-(2-Diethylamino-ethyl)-1H-benzoimidazol-2-Benzimidazol-2-amine, 1-(2-diethylaminoethyl)-2-(2-aminobenzimidazol-1-yl)ethyl-diethyl-amine2-(2-amino-1-benzimidazolyl)ethyl-diethylammonium
1-(2-Diethylamino-ethyl)-1 H -benzoimidazol-2-ylamine[2-(2-aminobenzimidazolyl)ethyl]diethylamineEnamine_005075Cambridge id 5341863Oprea1_167623Oprea1_5352661-(2-diethylaminoethyl)-1h-benzoimidazol-2-ylamineSCHEMBL8562225
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 121 · 121-122 °C (decomp)(Solv: acetonitrile (75-05-8))
- Boiling point
- 395.4 · 395.4±44.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 9.96 · 9.96±0.25(Predicted)
- 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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers7 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海志信生物医药科技有限公司18701958033 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [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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