AG0076JK

39945-51-2 | Benzyl 3-(hydroxymethyl)piperidine-1-carboxylate

AG0076JK

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CAS Number	39945-51-2
Catalog Number	AG0076JK(AGN-PC-0KKXMR)
Chemical Name	Benzyl 3-(hydroxymethyl)piperidine-1-carboxylate
IUPAC Name	benzyl 3-(hydroxymethyl)piperidine-1-carboxylate
InChI	InChI=1S/C14H19NO3/c16-10-13-7-4-8-15(9-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2
InChI Key	XLWOOUZKMJBINO-UHFFFAOYSA-N
MDL Number	MFCD03407298
Molecular Formula	C14H19NO3
Molecular Weight	249.3056
SMILES	O=C(N1CC(CO)CCC1)OCC2=CC=CC=C2
Synonyms	benzyl 3-(hydroxymethyl)piperidine-1-carboxylate, 39945-51-2, N-CBZ-3-PIPERIDINEMETHANOL, N-Cbz-3-hydroxymethylpiperidine, 1-Cbz-3-Hydroxymethylpiperidine, BENZYL 3-(HYDROXYMETHYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE, 3-Hydroxymethyl-piperidine-1-carboxylic acid benzyl ester, MFCD03407298, 1-Piperidinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester, PubChem11832, AC1MCR2N, 1-N-Cbz-3-piperidinemethanol, SCHEMBL1320424, CTK4I2140, 1-Cbz-3-hydroxymethyl-piperidine, DTXSID70380200, XLWOOUZKMJBINO-UHFFFAOYSA-N, ACT04804, KS-00000K3R, ANW-47211, FC1302, N-Carbobenzyloxy-3-piperidinemethanol, AKOS009158455, CC-1129, MCULE-9615008201, PB17305, SS-3395, TRA0033946, AC-22469, AK-44347, BR-44347, N-CBZ-(3-HYDROXYMETHYL)PIPERIDINE, SY018381, 1-benzyloxycarbonyl-3-piperidinyl methanol, AB0024712, DB-031241, ST2406677, TC-063434, 1-(Benzyloxycarbonyl)piperidin-3-yl methanol, 1-benzyloxycarbonyl-3-hydroxymethylpiperidine, 4CH-017898, A6670, AM20040384, FT-0622798, W6034, 1-benzyloxycarbonyl-3-hydroxymethyl-piperidine, EN300-73816, MFCD03407298 (95%), 1-BENZYLOXYCARBONYL-3-PIPERIDINEMETHANOL, S-3808, benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate, 945B512, Q-103022, 3-Hydroxymethylpiperidine-1-carboxylic acid benzyl ester, Z352747426, 1-Piperidinecarboxylicacid, 3-(hydroxymethyl)-, phenylmethyl ester, BENZYL3-(HYDROXYMETHYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE, Benzyl 3-(hydroxymethyl)tetrahydro-1(2H)-pyridinecarboxylate, AldrichCPR, ( inverted exclamation markA)BENZYL3-(HYDROXYMETHYL)TETRAHYDRO-1(2H)-,PYRIDINEC ARBOXYLATE, Benzyl 3-(hydroxymethyl)piperidine-1-carboxylate, [(Benzyloxy)carbonyl]piperidin-3-yl]methanol, C14H19NO3, ZINC00159023, ACN-031066, CID2776577, (R)-1-CBZ-3-(HYDROXYMETHYL)PIPERIDINE, (S)-1-CBZ-3-(HYDROXYMETHYL)PIPERIDINE, 160706-61-6, 405061-52-1, 10138-52-0,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.136g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.31g/mol
Monoisotopic Mass	249.136g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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