AG003758

502649-25-4 | 1-Boc-3-Phenylpiperazine

AG003758

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CAS Number	502649-25-4
Catalog Number	AG003758(AGN-PC-0KK71N)
Chemical Name	1-Boc-3-Phenylpiperazine
IUPAC Name	tert-butyl 3-phenylpiperazine-1-carboxylate
InChI	InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-16-13(11-17)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3
InChI Key	HRRFJZULVYGVNJ-UHFFFAOYSA-N
MDL Number	MFCD03840082
Molecular Formula	C15H22N2O2
Molecular Weight	262.3474
SMILES	C(=O)(OC(C)(C)C)N1CC(NCC1)C1=CC=CC=C1
Synonyms	502649-25-4, N-1-Boc-3-phenylpiperazine, 1-Boc-3-Phenylpiperazine, Tert-butyl 3-phenylpiperazine-1-carboxylate, 3-phenyl-piperazine-1-carboxylic acid tert-butyl ester, tert-butyl (3R)-3-phenylpiperazine-1-carboxylate, N-Boc-3-phenylpiperazine, AC1MC34V, N-1-Boc-3-phenyl-piperazine, SCHEMBL940218, CTK4J2329, DTXSID50370689, HRRFJZULVYGVNJ-UHFFFAOYSA-N, 1-N-BOC-3-PHENYLPIPERAZINE, KS-000019OG, 3BPY-0-01, ANW-43340, CB-494, MFCD03840082, SBB056108, (+/-)-1-BOC-3-phenyl-piperazine, AKOS005255239, AB16371, GL-0183, MCULE-3079655487, VP70254, tert-butyl 3-phenylpiperazinecarboxylate, N-1-Boc-3-phenylpiperazine, AldrichCPR, AN-28114, AS-35478, SC-35944, tert-butyl3-phenylpiperazine-1-carboxylate, AB0073241, RT-008859, BB 0261230, CS-0038887, FT-0083899, FT-0600649, tert-butyl 3-phenyl-piperazine-1-carboxylate, V6236, A26089, B-1413, 649B254, Z2284392484, 1-Piperazinecarboxylicacid, 3-phenyl-, 1,1-dimethylethyl ester, 1-PIPERAZINECARBOXYLIC ACID, 3-PHENYL-, 1,1-DIMETHYLETHYL ESTER, S-4-Boc-2-phenylpiperazine, C15H22N2O2, CID2735358, (S)-tert-Butyl 3-phenylpiperazine-1-carboxylate, (R)-TERT-BUTYL 3-PHENYLPIPERAZINE-1-CARBOXYLATE, tert-butyl (3S)-3-phenylpiperazine-1-carboxylate, 3-phenylpiperazine-1-carboxylic acid tert-butyl ester, 1221274-36-7, 1240584-34-2,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.168g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	262.353g/mol
Monoisotopic Mass	262.168g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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