Cyclohexylmethyl 4-(N'-octylcarbamimidoyl)benzoate--hydrogen chloride (1/1)
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Basic information
- CAS
678997-25-6- Standard SMILES
CCCCCCCCN=C(N)c1ccc(C(=O)OCC2CCCCC2)cc1.Cl- InChIKey
URYYYIJUCLTKBY-UHFFFAOYSA-N- Molecular formula
- C23H37ClN2O2
- Average molar mass
- 409 g/mol
- Monoisotopic mass
- 408.2543561
Names & identifiers
- Preferred name
- Cyclohexylmethyl 4-(N'-octylcarbamimidoyl)benzoate--hydrogen chloride (1/1)
- IUPAC
- cyclohexylmethyl 4-(N'-octylcarbamimidoyl)benzoate;hydrochloride
- English name
- SFK1
- Molecular formula
- C23H37ClN2O2
- Molecular weight
- 409.00508
Names & synonyms
678997-25-6DTXSID00582033Cyclohexylmethyl 4-(N'-octylcarbamimidoyl)benzoate--hydrogen chloride (1/1)RefChem:335767DTXCID80532798SFK1SKF1Suppressor of FK-506 1cyclohexylmethyl 4-(N'-octylcarbamimidoyl)benzoate;hydrochlorideCyclohexylmethyl 4-[imino(octylamino)methyl]benzoate hydrochlorideorb1699292SCHEMBL29370005
Show more names
SKF-1,SKF1
NSC114967AKOS040749510SFK1, >=98% (HPLC), solidNSC-114967HY-123454CS-0082683T28790CYCLOHEXYLMETHYL 4-(N-OCTYLCARBAMIMIDOYL)BENZOATE HYDROCHLORIDE
Database identifiers
- CAS
678997-25-6- PubChem CID
- 16079010
- DTXSID
DTXSID00582033- EC Number
- 636-167-7
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 12 mg/mL · DMSO: 12 mg/mL
- form
- solid
- UNSPSC Code
- 51111800 · 51111800
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26-36
- 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
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (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.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- wgk
- 3
- risk_code
- 36
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesSFK1 may be used in cell signaling studies.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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