Basic information
- CAS
1287753-40-5- Standard SMILES
CC(c1ccc(B(O)O)cc1)N1CCCCC1- InChIKey
AAVZQQFWPJUBCQ-UHFFFAOYSA-N- Molecular formula
- C13H20BNO2
- Average molar mass
- 233.12 g/mol
- Monoisotopic mass
- 233.158709
Names & identifiers
- Preferred name
- (4-[1-(1-Piperidinyl)Ethyl]Phenyl)Boronic Acid
- IUPAC
- [4-(1-piperidin-1-ylethyl)phenyl]boronic acid
- English name
- CHEMBRDG-BB 4015553
- Molecular formula
- C13H20BNO2
- Molecular weight
- 233.11
Names & synonyms
{4-[1-(1-piperidinyl)ethyl]phenyl}boronic acid(4-(1-(1-Piperidinyl)Ethyl)Phenyl)Boronic Acid(4-[1-(1-Piperidinyl)Ethyl]Phenyl)Boronic AcidRefChem:401953108-501-71287753-40-5[4-(1-piperidin-1-ylethyl)phenyl]boronic acid(4-(1-(Piperidin-1-yl)ethyl)phenyl)boronic acidMFCD08059977{4-[1-(Piperidin-1-yl)ethyl]phenyl}boronic acid4-[1-(piperidin-1-yl)ethyl]phenylboronic acidSCHEMBL2559446
Show more names
CHEMBRDG-BB 4015553Boronic acid, B-[4-[1-(1-piperidinyl)ethyl]phenyl]-
AAVZQQFWPJUBCQ-UHFFFAOYSA-NDTXSID701238372AKOS022183857BS-38824DB-100845CS-0175459(4-(1-(Piperidin-1-yl)ethyl)phenyl)boronicacidF309524
Database identifiers
- CAS
1287753-40-5- PubChem CID
- 45791104
- DTXSID
DTXSID701238372- EC Number
- 108-501-7
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 370.3 · 370.3±44.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- form
- solid
- pka
- 8.51 · 8.51±0.17(Predicted)
- InChI
- 1S/C13H20BNO2/c1-11(15-9-3-2-4-10-15)12-5-7-13(8-6-12)14(16)17/h5-8,11,16-17H,2-4,9-10H2,1H3
- InChIKey
- AAVZQQFWPJUBCQ-UHFFFAOYSA-N
- SMILES
- CC(N1CCCCC1)c2ccc(cc2)B(O)O
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338+P310
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Eye Dam. 1
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338+P310
Chemistry & industry
Suppliers2 total
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
2 records
Compound notes
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