AG00AAGJ

1303974-47-1 | 1-Boc-3,3-difluoro-4-(hydroxymethyl)piperidine

AG00AAGJ

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CAS Number	1303974-47-1
Catalog Number	AG00AAGJ(AGN-PC-0WBRJM)
Chemical Name	1-Boc-3,3-difluoro-4-(hydroxymethyl)piperidine
IUPAC Name	tert-butyl 3,3-difluoro-4-(hydroxymethyl)piperidine-1-carboxylate
InChI	InChI=1S/C11H19F2NO3/c1-10(2,3)17-9(16)14-5-4-8(6-15)11(12,13)7-14/h8,15H,4-7H2,1-3H3
InChI Key	GBFXSKJJISVIRA-UHFFFAOYSA-N
MDL Number	MFCD18909777
Molecular Formula	C11H19F2NO3
Molecular Weight	251.2703
SMILES	O=C(N1CC(F)(F)C(CO)CC1)OC(C)(C)C
Synonyms	1303974-47-1, TERT-BUTYL 3,3-DIFLUORO-4-(HYDROXYMETHYL)PIPERIDINE-1-CARBOXYLATE, 1-BOC-3,3-DIFLUORO-4-(HYDROXYMETHYL)PIPERIDINE, SCHEMBL18226578, KS-000006JZ, MFCD18909777, AKOS025291151, CS-W001394, PB16842, AS-34282, Q-4248, tert-Butyl (4R)-3,3-difluoro-4-(hydroxymethyl)piperidine-1-carboxylate, tert-Butyl (4S)-3,3-difluoro-4-(hydroxymethyl)piperidine-1-carboxylate, 2165577-90-0, 2166006-24-0,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.133g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.274g/mol
Monoisotopic Mass	251.133g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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