AG000JNH

1228765-06-7 | 1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-3-fluoro-, 1,1-dimethylethyl ester

AG000JNH

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CAS Number	1228765-06-7
Catalog Number	AG000JNH(AGN-PC-0WALSE)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-3-fluoro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-(aminomethyl)-3-fluoropyrrolidine-1-carboxylate
InChI	InChI=1S/C10H19FN2O2/c1-9(2,3)15-8(14)13-5-4-10(11,6-12)7-13/h4-7,12H2,1-3H3
InChI Key	AIGHVUMGNOAZIB-UHFFFAOYSA-N
MDL Number	MFCD18375054
Molecular Formula	C10H19FN2O2
Molecular Weight	218.2685
SMILES	O=C(N1CC(F)(CN)CC1)OC(C)(C)C
Synonyms	1228765-06-7, TERT-BUTYL 3-(AMINOMETHYL)-3-FLUOROPYRROLIDINE-1-CARBOXYLATE, 1-BOC-3-FLUOROPYRROLIDINE-3-METHYLAMINE, 1-?Pyrrolidinecarboxyli?c acid, 3-?(aminomethyl)?-?3-?fluoro-?, 1,?1-?dimethylethyl ester, SCHEMBL13993955, MFCD18375054, AKOS023601778, FCH1620175, PB28752, PC53232, KS-0000071O, AK172269, AS-43059, 1-Boc-3-(aminomethyl)-3-fluoropyrrolidine, ST1271442, CS-0038396, Q-3159, tert-Butyl 3-(aminomethyl)-3-fluoro-pyrrolidine-1-carboxylate, 3-Fluoro-3-(aminomethyl)pyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-3-fluoro-, 1,1-dimethylethyl ester,

Complexity	252
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	1
Isotope Atom Count	0
Molecular Weight	218.272g/mol
Monoisotopic Mass	218.143g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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