AG00IF0C

882033-94-5 | 1-Piperidinecarboxylic acid, 3-fluoro-4-(hydroxymethyl)-,1,1-dimethylethyl ester, (3R,4R)-rel-

AG00IF0C

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CAS Number	882033-94-5
Catalog Number	AG00IF0C(AGN-PC-0VJU21)
Chemical Name	1-Piperidinecarboxylic acid, 3-fluoro-4-(hydroxymethyl)-,1,1-dimethylethyl ester, (3R,4R)-rel-
IUPAC Name	tert-butyl (3R,4R)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
InChI	InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-5-4-8(7-14)9(12)6-13/h8-9,14H,4-7H2,1-3H3/t8-,9+/m1/s1
InChI Key	UIACYDBUYRFVMD-BDAKNGLRSA-N
MDL Number	MFCD27986934
Molecular Formula	C11H20FNO3
Molecular Weight	233.2798
SMILES	O=C(N1C[C@H](F)[C@@H](CO)CC1)OC(C)(C)C
Synonyms	882033-94-5, (3R,4R)-rel-tert-Butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate, (3,4)-trans-tert-Butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate, rel-(3R,4R)-tert-Butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate, SCHEMBL15227164, tert-Butyl (3R,4R)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate, MFCD27986934, ZINC95616714, AKOS025290941, FCH3945022, KS-000004E1, AK170953, AS-33967, CS-0053227, (3S,4S)-rel-1-Boc-3-fluoro-4-(hydroxymethyl)piperidine, AldrichCPR, (3s,4s)-rel-1-boc-3-fluoro-4-(hydroxymethyl)piperidine,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	233.143g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.283g/mol
Monoisotopic Mass	233.143g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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