AG000FN5

1150114-74-1 | 3-Piperidinecarboxylic acid, 1-(4-boronobenzoyl)-, 3-ethyl ester

AG000FN5

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1150114-74-1
Catalog Number	AG000FN5(AGN-PC-0WA94V)
Chemical Name	3-Piperidinecarboxylic acid, 1-(4-boronobenzoyl)-, 3-ethyl ester
IUPAC Name	[4-(3-ethoxycarbonylpiperidine-1-carbonyl)phenyl]boronic acid
InChI	InChI=1S/C15H20BNO5/c1-2-22-15(19)12-4-3-9-17(10-12)14(18)11-5-7-13(8-6-11)16(20)21/h5-8,12,20-21H,2-4,9-10H2,1H3
InChI Key	IXWDVUCXVFXXEN-UHFFFAOYSA-N
MDL Number	MFCD11504863
Molecular Formula	C15H20BNO5
Molecular Weight	305.1340
SMILES	O=C(C1=CC=C(B(O)O)C=C1)N2CC(C(OCC)=O)CCC2
Synonyms	1150114-74-1, (4-(3-(Ethoxycarbonyl)piperidine-1-carbonyl)phenyl)boronic acid, 4-(3-(ETHOXYCARBONYL)PIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID, {4-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenyl}boronic acid, ACMC-2099n8, SCHEMBL2560313, CTK4A9053, DTXSID80674864, ANW-16770, MFCD11504863, AKOS015838732, RTR-002772, TR-002772, ST24020476, Z7559, A-5078, I04-2111, 3-Piperidinecarboxylic acid, 1-(4-boronobenzoyl)-, 3-ethyl ester, C15H20BNO5, (4-(3-(Ethoxycarbonyl)piperidine-1-carbonyl)phenyl)boronicacid,

Complexity	395
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	305.143g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	305.137g/mol
Monoisotopic Mass	305.143g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	87.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number