AG00IEGP

872716-26-2 | Carbamic acid, [(3-fluoro-3-pyrrolidinyl)methyl]-, 1,1-dimethylethyl ester

AG00IEGP

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CAS Number	872716-26-2
Catalog Number	AG00IEGP(AGN-PC-0CPIGY)
Chemical Name	Carbamic acid, [(3-fluoro-3-pyrrolidinyl)methyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate
InChI	InChI=1S/C10H19FN2O2/c1-9(2,3)15-8(14)13-7-10(11)4-5-12-6-10/h12H,4-7H2,1-3H3,(H,13,14)
InChI Key	GPEHPMQIVVIUQX-UHFFFAOYSA-N
MDL Number	MFCD18375055
Molecular Formula	C10H19FN2O2
Molecular Weight	218.2685
SMILES	O=C(OC(C)(C)C)NCC1(F)CNCC1
Synonyms	872716-26-2, tert-butyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate, 3-(Boc-aminomethyl)-3-fluoropyrrolidine, tert-Butyl ((3-fluoropyrrolidin-3-yl)methyl)carbamate, 3-(N-BOC-AMINOMETHYL)-3-FLUOROPYRROLIDINE, SCHEMBL13382283, MFCD18375055, AKOS024089084, FCH1620174, PB22938, KS-0000077Y, AK172352, AS-51290, CS-0048015, Q-3653, Carbamic acid, [(3-fluoro-3-pyrrolidinyl)methyl]-, 1,1-dimethylethyl ester,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.143g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.272g/mol
Monoisotopic Mass	218.143g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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