(4-[1-(1-Piperidinyl)Ethyl]Phenyl)Boronic Acid

CHEMBRDG-BB 4015553 · [4-(1-Piperidin-1-ylethyl)phenyl]boronic acid · Boronic acid, B-[4-[1-(1-piperidinyl)ethyl]phenyl]-

Identifiers & Physical Properties

CAS No.	1287753-40-5
Molecular formula	C13H20BNO2
Average molar mass	233.12 g/mol
Monoisotopic mass	233.158709 g/mol
SMILES	CC(c1ccc(B(O)O)cc1)N1CCCCC1
InChIKey	AAVZQQFWPJUBCQ-UHFFFAOYSA-N
PubChem CID	45791104
EC No.	108-501-7
DTXSID	DTXSID701238372

Topological polar surface area	43.7
Hydrogen bond donors	2
Hydrogen bond acceptors	3
Rotatable bonds	3
Heavy atoms	17
Formal charge	0
Complexity	223
Boiling point	370.3±44.0 °C(Predicted)
Density	1.10±0.1 g/cm3(Predicted)
Physical state	solid
pKa (acidity coefficient)	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
NACRES	NA.21
GHS pictogram	GHS05
Signal word	Danger
GHS hazard statements	H318
GHS precautionary statements	P280-P305+P351+P338+P310
Hazard symbols	Xi
Risk statements (R)	41
Safety statements (S)	26-39
Water hazard class (WGK)	WGK 3
Storage class	11 - Combustible Solids
Hazard class	Eye Dam. 1

GHS classification	DangerH318 (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 Classes and Categories	Eye Dam. 1 (100%)
Water hazard class (WGK)	WGK 3
Risk statements (R)	41
Signal word	Danger
GHS pictogram	GHS05
Hazard symbols	Xi
Safety statements (S)	26-39
Storage class	11 - Combustible Solids
GHS hazard statements	H318
Hazard class	Eye Dam. 1
GHS precautionary statements	P280-P305+P351+P338+P310