AG004747

885270-25-7 | benzyl 4-carbamimidoylpiperidine-1-carboxylate

AG004747

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CAS Number	885270-25-7
Catalog Number	AG004747(AGN-PC-05W5IH)
Chemical Name	benzyl 4-carbamimidoylpiperidine-1-carboxylate
IUPAC Name	benzyl 4-carbamimidoylpiperidine-1-carboxylate
InChI	InChI=1S/C14H19N3O2/c15-13(16)12-6-8-17(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H3,15,16)
InChI Key	ZTXCTYJVTHUYGK-UHFFFAOYSA-N
MDL Number	MFCD05663957
Molecular Formula	C14H19N3O2
Molecular Weight	261.3196
SMILES	O=C(N1CCC(C(N)=N)CC1)OCC2=CC=CC=C2
Synonyms	885270-25-7, 1-CBZ-PIPERIDINE-4-CARBOXAMIDINE, BENZYL 4-CARBAMIMIDOYLPIPERIDINE-1-CARBOXYLATE, 4-Carbamimidoyl-piperidine-1-carboxylic acid benzyl ester, z-Piperidine-4-carboxamidine, CTK5G0146, DTXSID70654276, ZINC2547902, 4690AH, MFCD05663957, AKOS024260572, AB22059, FCH2806752, AJ-39437, AX8024544, DB-077345, FT-0714364, C57185, Z-7053, 1-Piperidinecarboxylicacid, 4-(aminoiminomethyl)-, phenylmethyl ester, 850397-56-7, C14H19N3O2,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.148g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	261.325g/mol
Monoisotopic Mass	261.148g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	79.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number