AG0036PY

674792-06-4 | (S)-tert-Butyl 2-isobutylpiperazine-1-carboxylate

AG0036PY

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CAS Number	674792-06-4
Catalog Number	AG0036PY(AGN-PC-0TOGXD)
Chemical Name	(S)-tert-Butyl 2-isobutylpiperazine-1-carboxylate
IUPAC Name	tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate
InChI	InChI=1S/C13H26N2O2/c1-10(2)8-11-9-14-6-7-15(11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3/t11-/m0/s1
InChI Key	WXGGVOBNOVOVAM-NSHDSACASA-N
MDL Number	MFCD03787916
Molecular Formula	C13H26N2O2
Molecular Weight	242.3577
SMILES	C(C(C)C)[C@@H]1N(CCNC1)C(=O)OC(C)(C)C
Synonyms	674792-06-4, (S)-tert-butyl 2-isobutylpiperazine-1-carboxylate, (S)-1-Boc-2-isobutyl-piperazine, (S)-1-Boc-2-Isobutylpiperazine, (S)-1-N-Boc-Isobutylpiperazine, (S)-N-Boc-2-isobutylpiperazine, tert-butyl (2S)-2-isobutylpiperazine-1-carboxylate, MFCD03787916, tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate, (S)-1-N-BOC-2-ISOBUTYLPIPERAZINE, 1-tert-butyloxycarbonyl-(2S)-2-isobutylpiperazine, J-502535, 1-N-Boc-2R-isobutyl-Piperazine, AK-30117, N1-Boc-2-isobutylpiperazine, SCHEMBL873440, CTK5C6231, (S)-N-BOC 2-isobutylpiperazine, DTXSID70590504, WXGGVOBNOVOVAM-NSHDSACASA-N, BH118, KS-00000KP5, ZX-AT003639, FC0163, KM1104, ZINC12955171, AKOS005258435, AKOS015897765, AB15888, AC-2214, CB-1247, CS-W020512, FCH3614162, OR15645, RTR-022666, AJ-63171, AN-14199, BC211570, DS-11726, (2S)-1-N-BOC-2-ISOBUTYLPIPERAZINE, AB0041954, AB1005787, AX8034583, TL8004756, TR-022666, FT-0601750, ST24036430, Y9789, (S)-1-Boc-2-isobutyl-piperazine, AldrichCPR, A26028, (5)-tert-butyl 2-isobutylpiperazine-1-carboxylate, 792B064, tert-butyl (S)-2-isobutylpiperazine-1-carboxylate, (2S)-1-(tert-Butoxycarbonyl)-2-isobutylpiperazine, I13-0101, tert-butyl (25)-2-isobutylpiperazine-1-carboxylate, tert-butyl-(2S) 2-isobutylpiperazine-1-carboxylate, (2S)-1-(tert-Butoxycarbonyl)-2beta-isobutylpiperazine, 1-N-Boc-2-isobutylpiperazine; 1-Boc-2-isobutyl-piperazine, tert-Butyl (2S)-2-(2-methylprop-1-yl)piperazine-1-carboxylate, 1-Piperazinecarboxylicacid, 2-(2-methylpropyl)-, 1,1-dimethylethyl ester, (2S)-, C13H26N2O2, ACN-001809, (S)-1-N-BOC-2-ISOBUTYLPIPERAZINE-HCl, C-1122, 1-Piperazinecarboxylic acid, 2-(2-methylpropyl)-, 1,1-dimethylethyl ester, (2S)-, 60753-14-2,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	242.199g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.363g/mol
Monoisotopic Mass	242.199g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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