AG0032GI

475272-55-0 | (S)-1-Boc-3-benzylpiperazine

AG0032GI

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CAS Number	475272-55-0
Catalog Number	AG0032GI(AGN-PC-0RVAMY)
Chemical Name	(S)-1-Boc-3-benzylpiperazine
IUPAC Name	tert-butyl (3S)-3-benzylpiperazine-1-carboxylate
InChI	InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-14(12-18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m0/s1
InChI Key	YFIAVMMGSRDLLG-AWEZNQCLSA-N
MDL Number	MFCD07772102
Molecular Formula	C16H24N2O2
Molecular Weight	276.3740
SMILES	C(=O)(OC(C)(C)C)N1C[C@@H](NCC1)CC1=CC=CC=C1
Synonyms	(S)-1-Boc-3-benzylpiperazine, 475272-55-0, (S)-1-Boc-3-benzyl-piperazine, (S)-tert-butyl 3-benzylpiperazine-1-carboxylate, TERT-BUTYL (3S)-3-BENZYLPIPERAZINE-1-CARBOXYLATE, J-502542, AK-29277, SCHEMBL17058, CTK4J0076, KS-00000DNH, DTXSID40647493, YFIAVMMGSRDLLG-AWEZNQCLSA-N, (S)-1-N-Boc-3-benzylpiperazine, BH128, ANW-44813, FC0173, MFCD07772102, ZINC15022056, AKOS005258659, AKOS015911334, AB42214, AC-2221, CB-1239, RP06574, VP70061, ACM475272550, AJ-67096, AN-14206, BC678991, CJ-15052, SC-23675, TS-00950, AB0041431, AB1006411, AX8033730, DB-002991, ST1060365, TL8003232, TR-017523, (S)-1-Boc-3-benzyl-piperazine, AldrichCPR, FT-0083995, FT-0601759, Y9186, A-5779, A26053, tert-butyl (S)-3-benzylpiperazine-1-carboxylate, (3-Trifluoromethyl-;a-toluenesulfonyl)acetic acid, 272B550, tert-butyl (3S)-3-benzyl-1-piperazinecarboxylate, I14-3865, 3-(S)-Benzyl-piperazine-1-carboxylic acid tert-butyl ester, (S)-4-Boc-2-benzylpiperazine; (S)-tert-Butyl 3-benzylpiperazine-1-carboxylate, 1-Piperazinecarboxylicacid, 3-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S)-, C16H24N2O2, ACN-045269, tert-butyl (3R)-3-benzylpiperazine-1-carboxylate, 502649-29-8, 90267-03-1, 947272-49-3,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	276.184g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	276.38g/mol
Monoisotopic Mass	276.184g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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