AG002YB1

294180-37-3 | 1-Benzyl-4-n-boc-amino-isonipecotic acid methyl ester

AG002YB1

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CAS Number	294180-37-3
Catalog Number	AG002YB1(AGN-PC-038SL4)
Chemical Name	1-Benzyl-4-n-boc-amino-isonipecotic acid methyl ester
IUPAC Name	methyl 1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
InChI	InChI=1S/C19H28N2O4/c1-18(2,3)25-17(23)20-19(16(22)24-4)10-12-21(13-11-19)14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3,(H,20,23)
InChI Key	ABKUDWKUABCGGM-UHFFFAOYSA-N
MDL Number	MFCD09749832
Molecular Formula	C19H28N2O4
Molecular Weight	348.4366
SMILES	O=C(C1(NC(OC(C)(C)C)=O)CCN(CC2=CC=CC=C2)CC1)OC
Synonyms	294180-37-3, Methyl 1-Benzyl-4-(Boc-amino)piperidine-4-carboxylate, 1-Benzyl-4-N-Boc-amino-isonipecotic acid methyl ester, METHYL 1-BENZYL-4-((TERT-BUTOXYCARBONYL)AMINO)PIPERIDINE-4-CARBOXYLATE, 1-benzyl-4-n-boc-amino-piperidine-4-carboxylic acid methyl ester, Methyl 1-benzyl-4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylate, PubChem19426, SCHEMBL7578999, DTXSID00612162, KS-00000AH5, 5065AJ, MFCD09749832, ZINC16696952, AKOS015903574, AB51296, TRA0024377, AJ-69205, AS-36258, SY009447, AB0006050, AX8056780, TC-308389, FT-0738079, K-7167, MFCD09749832 (95+%), A819897, I14-17641, Methyl1-Benzyl-4-(Boc-amino)piperidine-4-carboxylate, 1-BENZYL-4-TERT-BUTOXYCARBONYLAMINO-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER, methyl 1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate, methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)piperidine-4-carboxylate, 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(phenylmethyl)-4-piperidinecarboxylic acid methyl ester, 4-PIPERIDINECARBOXYLIC ACID, 4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-(PHENYLMETHYL)-, METHYL ESTER, C19H28N2O4, 1-BENZYL-4-N-BOC-AMINO-PIPERIDINE-4-CARBOXYLICACIDMETHYLESTER, 91-21-4,

Complexity	459
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	348.205g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	348.443g/mol
Monoisotopic Mass	348.205g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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