Basic information
- CAS
36947-70-3- Standard SMILES
c1ccc2[nH]c(C3CCCCC3)nc2c1- InChIKey
ZUKYCLYMFNPDCT-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- 2-cyclohexyl-1H-1,3-benzodiazole
- IUPAC
- 2-cyclohexyl-1H-benzimidazole
- English name
- 1H-Benzimidazole,2-cyclohexyl-(9CI)
- Molecular formula
- C13H16N2
- Molecular weight
- 200.28
Names & synonyms
2-Cyclohexyl-1H-benzimidazole2-cyclohexyl-1H-1,3-benzodiazoleRefChem:470912107-780-236947-70-32-cyclohexyl-1H-benzo[d]imidazole2-CyclohexylbenzimidazoleBENZIMIDAZOLE, 2-CYCLOHEXYL-1H-Benzimidazole, 2-cyclohexyl-MFCD005528921H-Benzimidazole,2-cyclohexyl-(9CI)CHEMBL171135
Show more names
BRN 0178318Enamine_0011025-23-07-00396 (Beilstein Handbook Reference)SCHEMBL697906SCHEMBL724921SCHEMBL2106423SCHEMBL56030112-Cyclohexyl-1H-benzimidazole #
Database identifiers
- CAS
36947-70-3- PubChem CID
- 37587
- DTXSID
DTXSID30190443- ChEMBL
CHEMBL171135- EC Number
- 107-780-2
- Nikkaji
- J69.200J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 281 · 281-282 °C
- Boiling point
- 414.9 · 414.9±14.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- pka
- 11.99 · 11.99±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海途志化工有限公司19542790274 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
4 records
Compound notes
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