Basic information
- CAS
1216621-00-9- Standard SMILES
CCn1c(=O)n(C2=C(CO)CN(CC3CCCCCCC3)CC2)c2ccccc21.Cl- InChIKey
YEVMLMQAMCKVSC-UHFFFAOYSA-N- Molecular formula
- C24H36ClN3O2
- Average molar mass
- 434 g/mol
- Monoisotopic mass
- 433.2496051
Names & identifiers
- Preferred name
- 1-(1-(cyclooctylmethyl)-1,2,3,6-tetrahydro-5-(hydroxymethyl)-4-pyridinyl)-3-ethyl-1,3-dihydro-2Hbenimidazol-2-one
- IUPAC
- 1-[1-(cyclooctylmethyl)-5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-3-ethylbenzimidazol-2-one;hydrochloride
- English name
- 1-(1-(cyclooctylMethyl)-5-(hydroxyMethyl)-1,2,3,6-tetrahydropyridin-4-yl)-3-ethyl-1H-benzo[d]iMidazol-2(3H)-one hydrochloride
- Molecular formula
- C24H36ClN3O2
- Molecular weight
- 434.02
Names & synonyms
1216621-00-9873567-76-11-[1-(cyclooctylmethyl)-1,2,3,6-tetrahydro-5-(hydroxymethyl)-4-pyridinyl]-3-ethyl-1,3-dihydro-2Hbenzimidazol-2-one hydrochloride1-(1-(cyclooctylmethyl)-1,2,3,6-tetrahydro-5-(hydroxymethyl)-4-pyridinyl)-3-ethyl-1,3-dihydro-2Hbenimidazol-2-one1-(1-(cyclooctylmethyl)-1,2,3,6-tetrahydro-5-(hydroxymethyl)-4-pyridinyl)-3-ethyl-1,3-dihydro-2Hbenzimidazol-2-one hydrochloride1-[1-(cyclooctylmethyl)-1,2,3,6-tetrahydro-5-(hydroxymethyl)-4-pyridinyl]-3-ethyl-1,3-dihydro-2Hbenimidazol-2-oneRefChem:419577684-995-2686-030-0Trap 101Trap-101 hydrochloride1-(1-(Cyclooctylmethyl)-5-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-4-yl)-3-ethyl-1H-benzo[d]imidazol-2(3H)-one hydrochloride
Show more names
Trap-101 hydrochloride >=98% (HPLC), powderTrap 101 hydrochloride,Trap101 hydrochloride1-[1-(cyclooctylmethyl)-5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-3-ethylbenzimidazol-2-one:hydrochloride
1-[1-(CYCLOOCTYLMETHYL)-1,2,3,6-TETRAHYDRO-5-(HYDROXYMETHYL)-4-PYRIDINYL]-3-ETHYL-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE HYDROCHLORIDETrap 101 (hydrochloride)Trap-101 (hydrochloride)1-[1-(cyclooctylmethyl)-5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-3-ethylbenzimidazol-2-one;hydrochlorideorb1703963RYB62100HY-11052AAKOS016004853
Database identifiers
- CAS
1216621-00-9、873567-76-1- PubChem CID
- 56972178
- EC Number
- 684-995-2、686-030-0
Properties
Computed structural properties
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: ≥10mg/mL
- form
- powder
- color
- white to off-white
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · 3
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Chemistry & industry
Applications
UsesTrap 101 is a useful intermediate and used to study protein-coupled receptor
Suppliers4 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
EMMX Biotechnology LLC888-539-0666 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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