AG007AJF

169447-86-3 | (S)-tert-Butyl 2-benzylpiperazine-1-carboxylate

AG007AJF

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CAS Number	169447-86-3
Catalog Number	AG007AJF(AGN-PC-0Q9H0Z)
Chemical Name	(S)-tert-Butyl 2-benzylpiperazine-1-carboxylate
IUPAC Name	tert-butyl (2S)-2-benzylpiperazine-1-carboxylate
InChI	InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-12-14(18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m0/s1
InChI Key	QKUHUJCLUFLGCI-AWEZNQCLSA-N
MDL Number	MFCD03787923
Molecular Formula	C16H24N2O2
Molecular Weight	276.3740
SMILES	O=C(N1[C@@H](CC2=CC=CC=C2)CNCC1)OC(C)(C)C
Synonyms	(S)-1-Boc-2-benzylpiperazine, 169447-86-3, (S)-1-Boc-2-benzyl-piperazine, (S)-tert-butyl 2-benzylpiperazine-1-carboxylate, tert-butyl (2S)-2-benzylpiperazine-1-carboxylate, MFCD03787923, W-205992, 2(S)-BENZYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, AK-28872, N1-Boc-2-benzylpiperazine, SCHEMBL873458, Jsp003450, (S)-N1-Boc-2-benzylpiperazine, CTK4D3295, KS-00000DNI, DTXSID10590508, QKUHUJCLUFLGCI-AWEZNQCLSA-N, (S)-1-N-Boc-2-benzylpiperazine, CS-B0421, ANW-22406, ZINC12955181, AKOS005258483, AKOS015897736, AB15893, AC-2219, CB-1237, DS-2835, RP07892, VP70060, KS-0000010Z, AJ-63173, AN-14204, CJ-14253, (S)-1-N-BOC-2-BENZYL-PIPERAZINE, AB0047917, AB1006409, AX8027733, DB-002935, ST1060359, TL8001320, TR-007405, 2(S)-Benzyl-1-tert-butoxycarbonylpiperazine, FT-0083957, FT-0660115, V3726, A26050, B-7428, tert-butyl (S)-2-benzylpiperazine-1-carboxylate, 447B863, I13-0095, (2S)-1-(tert-Butoxycarbonyl)-2beta-benzylpiperazine, (S)-2-BENZYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, (S)-2-Benzyl-piperazine-1-carboxylic acid tert-butyl ester, AldrichCPR, (2S)-2-(Phenylmethyl)-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester,99%e.e., 1-Piperazinecarboxylicacid, 2-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)-, C16H24N2O2, (R)-1-BOC-2-BENZYLPIPERAZINE, ACN-001787, (R)-tert-butyl 2-benzylpiperazine-1-carboxylate, (S)-1-N-BOC-2-BENZYL-PIPERAZINE-HCl, C-1162, 947684-78-8, 1-PIPERAZINECARBOXYLIC ACID, 2-(PHENYLMETHYL)-, 1,1-DIMETHYLETHYL ESTER, (2S)-,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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