AG000319

100858-34-2 | 1-Piperidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester, (3R)-

AG000319

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CAS Number	100858-34-2
Catalog Number	AG000319(AGN-PC-0NV2ZC)
Chemical Name	1-Piperidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester, (3R)-
IUPAC Name	benzyl (3R)-3-hydroxypiperidine-1-carboxylate
InChI	InChI=1S/C13H17NO3/c15-12-7-4-8-14(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2/t12-/m1/s1
InChI Key	NDGWBAFATMSBHZ-GFCCVEGCSA-N
MDL Number	MFCD11112280
Molecular Formula	C13H17NO3
Molecular Weight	235.2790
SMILES	O=C(N1C[C@H](O)CCC1)OCC2=CC=CC=C2
Synonyms	100858-34-2, (R)-Benzyl 3-hydroxypiperidine-1-carboxylate, R-1-CBZ-3-Hydroxy-piperidine, benzyl (3R)-3-hydroxypiperidine-1-carboxylate, (R)-1-Cbz-3-hydroxy-piperidine, AK-93224, AC1OC5N3, SCHEMBL6128832, DTXSID60426141, ZINC161994, MFCD11112280, AKOS015855504, AKOS015923359, FCH2836615, PB32941, KS-0000032K, AC-29689, AJ-15863, CJ-02024, DS-17807, TZ000844, AB0000262, AX8248228, ST2402667, TC-065501, CS-0038764, FT-0771738, Q-1098, (3R)-3alpha-Hydroxypiperidine-1-carboxylic acid benzyl ester, 1-Piperidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester, (3R)-, ZINC00161995, ACN-029938, CID6932652, (R)-Benzyl3-hydroxypiperidine-1-carboxylate,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	235.121g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.283g/mol
Monoisotopic Mass	235.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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