AG000NNJ

1254115-22-4 | 1-Piperazinecarboxylic acid, 4-(3-oxetanyl)-, phenylmethyl ester

AG000NNJ

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CAS Number	1254115-22-4
Catalog Number	AG000NNJ(AGN-PC-0WAZZJ)
Chemical Name	1-Piperazinecarboxylic acid, 4-(3-oxetanyl)-, phenylmethyl ester
IUPAC Name	benzyl 4-(oxetan-3-yl)piperazine-1-carboxylate
InChI	InChI=1S/C15H20N2O3/c18-15(20-10-13-4-2-1-3-5-13)17-8-6-16(7-9-17)14-11-19-12-14/h1-5,14H,6-12H2
InChI Key	VJDWVTGQLRWGKY-UHFFFAOYSA-N
MDL Number	MFCD28155142
Molecular Formula	C15H20N2O3
Molecular Weight	276.3309
SMILES	O=C(N1CCN(C2COC2)CC1)OCC3=CC=CC=C3
Synonyms	benzyl 4-(oxetan-3-yl)piperazine-1-carboxylate, 1254115-22-4, SCHEMBL879861, KS-000004NQ, MFCD28155142, AKOS025289675, ZINC114762948, FCH2907078, GS-5735, SB12378, AK171068, DA-46672, CS-0037001, FT-0729537, Benzyl 4-(oxetan-3-yl)piperazine-1-carboxylate, AldrichCPR, 1-Piperazinecarboxylic acid, 4-(3-oxetanyl)-, phenylmethyl ester,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.147g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.336g/mol
Monoisotopic Mass	276.147g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	42A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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