AG0032OU

502649-32-3 | 1-Boc-3-Isopropylpiperazine

AG0032OU

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CAS Number	502649-32-3
Catalog Number	AG0032OU(AGN-PC-00TZLS)
Chemical Name	1-Boc-3-Isopropylpiperazine
IUPAC Name	tert-butyl 3-propan-2-ylpiperazine-1-carboxylate
InChI	InChI=1S/C12H24N2O2/c1-9(2)10-8-14(7-6-13-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3
InChI Key	UHLAQCKNCBYTIF-UHFFFAOYSA-N
MDL Number	MFCD08273958
Molecular Formula	C12H24N2O2
Molecular Weight	228.3312
SMILES	CC(C)C1CN(CCN1)C(=O)OC(C)(C)C
Synonyms	1-Boc-3-isopropylpiperazine, 502649-32-3, 1-Boc-3-isopropyl-piperazine, tert-butyl 3-isopropylpiperazine-1-carboxylate, 1-N-BOC-3-ISOPROPYLPIPERAZINE, 1-PIPERAZINECARBOXYLIC ACID, 3-(1-METHYLETHYL)-, 1,1-DIMETHYLETHYL ESTER, tert-butyl 3-(propan-2-yl)piperazine-1-carboxylate, AK-29276, AK-29609, ACMC-1AXM1, 1-Boc- 3-isopropyl-piperazine, SCHEMBL1467860, CTK4J2332, DTXSID70659463, UHLAQCKNCBYTIF-UHFFFAOYSA-N, ANW-72717, MFCD08273958, AKOS005258422, AB44486, AC-2212, CB-1233, RTC-065367, TRA0072739, VP70034, KS-000001M2, NCGC00374397-01, AK-29314, AN-14197, DS-11072, SC-14925, AB0048965, AB1005785, DB-013809, TC-065367, 4CH-013512, 4CH-021600, 4CH-021856, FT-0083904, FT-0601748, ST24037811, A26022, B-1404, 649B323, tert-butyl 3-propan-2-ylpiperazine-1-carboxylate, I14-3876, tert-butyl (3R)-3-propan-2-ylpiperazine-1-carboxylate, tert-butyl (3S)-3-propan-2-ylpiperazine-1-carboxylate, racemic 3-isopropyl-piperazine-1-carboxylic acid tert-butyl ester, racemic 3-isopropylpiperazine-1-carboxylic acid tert-butyl ester, 1-Piperazinecarboxylicacid, 3-(1-methylethyl)-, 1,1-dimethylethyl ester, (S)-1-N-Boc-2-butylpiperazine; (S)-1-Boc-2-butyl-piperazine; (2S)-1-N-Boc-2-butylpiperazine, (R)-1-Boc-3-isopropylpiperazine, (S)-1-Boc-3-isopropylpiperazine, (R)-1-N-Boc-3-isopropylpiperazine, (S)-1-N-Boc-3-isopropylpiperazine, ACN-031015, 475272-54-9, 928025-63-2,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.184g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.336g/mol
Monoisotopic Mass	228.184g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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