AG0039ZI

1207947-49-6 | Benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate

AG0039ZI

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CAS Number	1207947-49-6
Catalog Number	AG0039ZI(AGN-PC-0WGGBV)
Chemical Name	Benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate
IUPAC Name	benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate
InChI	InChI=1S/C14H20N2O2/c1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10,15H2,1H3/t11-,13+/m0/s1
InChI Key	MWKAMUJIXBCKIH-WCQYABFASA-N
MDL Number	MFCD19704300
Molecular Formula	C14H20N2O2
Molecular Weight	248.3208
SMILES	N[C@@H]1CC[C@@H](N(C1)C(=O)OCC1=CC=CC=C1)C
Synonyms	1207947-49-6, benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate, (2S,5R)-5-Amino-2-methyl-piperidine-1-carboxylic acid benzyl ester, (2R,5R)-5-Amino-2-methyl-piperidine-1-carboxylic acid benzyl ester, 1207853-23-3, benzyl(2S,5R)-5-amino-2-methylpiperidine-1-carboxy, SCHEMBL1922547, 1207853-72-2, KS-000008RV, MFCD19704300, WT1105, ZINC66351318, AKOS015900809, AS-51439, SC-82819, SC-83622, DB-061813, CS-0049894, FT-0773894, benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carbox, I14-16033, 1207853-72-2 1-Piperidinecarboxylic acid, 5-amino-2-methyl-, phenylmethyl ester, (2S,5R)-,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	248.152g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.326g/mol
Monoisotopic Mass	248.152g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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