AG003JY0

566905-88-2 | benzyl 4-(4-hydroxybutyl)piperidine-1-carboxylate

AG003JY0

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CAS Number	566905-88-2
Catalog Number	AG003JY0(AGN-PC-0OCF8Z)
Chemical Name	benzyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
IUPAC Name	benzyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
InChI	InChI=1S/C17H25NO3/c19-13-5-4-6-15-9-11-18(12-10-15)17(20)21-14-16-7-2-1-3-8-16/h1-3,7-8,15,19H,4-6,9-14H2
InChI Key	ONJUEYJIUIRIBU-UHFFFAOYSA-N
MDL Number	MFCD22574990
Molecular Formula	C17H25NO3
Molecular Weight	291.3853
SMILES	OCCCCC1CCN(C(OCC2=CC=CC=C2)=O)CC1
Synonyms	4-(1-Cbz-4-piperidyl)-1-butanol, 566905-88-2, Benzyl 4-(4-hydroxybutyl)piperidine-1-carboxylate, 1-Piperidinecarboxylic acid, 4-(4-hydroxybutyl)-, phenylmethyl ester, 5930AJ, MFCD22574990, ZINC90729953, AKOS022186962, TRA0066597, KS-0000090N, AS-32279, CJ-22626, SY021792, AJ-129183, AX8268803, TC-307477, Z-4643, MFCD22574990 (95+%), C17H25NO3, 4-(4-hydroxybutyl)-1-Piperidinecarboxylic acid phenylmethyl ester, 1004-36-0, 176548-70-2,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.183g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	291.391g/mol
Monoisotopic Mass	291.183g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number