AG004ONJ

876379-22-5 | Benzyl (S)-3-{[(tert-butoxy)carbonyl]amino}piperidine-1-carboxylate

AG004ONJ

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CAS Number	876379-22-5
Catalog Number	AG004ONJ(AGN-PC-0VFK70)
Chemical Name	Benzyl (S)-3-{[(tert-butoxy)carbonyl]amino}piperidine-1-carboxylate
IUPAC Name	benzyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
InChI	InChI=1S/C18H26N2O4/c1-18(2,3)24-16(21)19-15-10-7-11-20(12-15)17(22)23-13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21)/t15-/m0/s1
InChI Key	SIONIIVXRCVHFL-HNNXBMFYSA-N
MDL Number	MFCD11501178
Molecular Formula	C18H26N2O4
Molecular Weight	334.4100
SMILES	O=C(N[C@@H]1CN(C(OCC2=CC=CC=C2)=O)CCC1)OC(C)(C)C
Synonyms	876379-22-5, (S)-1-Cbz-3-Boc-Aminopiperidine, (S)-1-Cbz-3-N-Boc-Aminopiperidine, (S)-3-tert-Butoxycarbonylamino-piperidine-1-carboxylic acid benzyl ester, benzyl (S)-3-((tert-butoxycarbonyl)amino)piperidine-1-carboxylate, SIONIIVXRCVHFL-HNNXBMFYSA-N, SCHEMBL6128873, KS-00000OUL, DTXSID50679447, benzyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate, (S)-benzyl 3-(tert-butoxycarbonylamino)piperidine-1-carboxylate, MFCD11501178, ZINC44137580, AKOS015841376, FCH3603629, BR-38969, DS-13090, AJ-109386, AX8214716, FT-0687346, W8999, S-6851, A842314, (S)-1-CBZ-3-(BOC-AMINO)PIPERIDINE, 97%, (S)-benzyl 3-((tert-Butoxycarbonyl)amino)piperidine-1-carboxylate, (S)-benzyl 3-(tert-butoxylcarbonylamino)piperidine-1-carboxylate, benzyl (3s)-3-[(tert-butoxycarbonyl)amino]piperidine-1-carboxylate, Benzyl (S)-3-{[(tert-butoxy)carbonyl]amino}piperidine-1-carboxylate, benzyl (3S)-3-{[(tert-butoxy)carbonyl]amino}piperidine-1-carboxylate, (phenylmethyl) (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate, (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinecarboxylic acid (phenylmethyl) ester, C18H26N2O4, (S)-1-Cbz-3-N-Boc-aminopiperidine, 95% - 1G 1g,

Complexity	427
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	334.189g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	334.416g/mol
Monoisotopic Mass	334.189g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

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