AG00035Z

1009075-43-7 | 1-Pyrrolidinecarboxylic acid, 3-amino-4-fluoro-, 1,1-dimethylethyl ester, (3S,4S)-

AG00035Z

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CAS Number	1009075-43-7
Catalog Number	AG00035Z(AGN-PC-0OQ5HL)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-amino-4-fluoro-, 1,1-dimethylethyl ester, (3S,4S)-
IUPAC Name	tert-butyl (3S,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate
InChI	InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,11H2,1-3H3/t6-,7-/m0/s1
InChI Key	DXQXHFOCKKIWJL-BQBZGAKWSA-N
MDL Number	MFCD11111576
Molecular Formula	C9H17FN2O2
Molecular Weight	204.2419
SMILES	CC(C)(C)OC(=O)N1C[C@H](N)[C@@H](F)C1
Synonyms	1009075-43-7, (3S,4S)-tert-butyl 3-amino-4-fluoropyrrolidine-1-carboxylate, 1363382-79-9, tert-butyl (3S,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate, trans-tert-butyl 3-amino-4-fluoropyrrolidine-1-carboxylate, (3S,4S)-1-Boc-3-amino-4-fluoropyrrolidine, 1174020-30-4, PubChem22789, (3R,4S)-TERT-BUTYL 3-AMINO-4-FLUOROPYRROLIDINE-1-CARBOXYLATE, SCHEMBL13110283, CTK8C5240, DTXSID30670492, 1-Pyrrolidinecarboxylic acid, 3-amino-4-fluoro-, 1,1-dimethylethyl ester, (3S,4S)-, DXQXHFOCKKIWJL-BQBZGAKWSA-N, KS-000000NL, ANW-74885, EBD158165, MFCD11111576, MFCD18207795, ZINC40448647, AKOS015919444, CB-2763, FCH3789674, MP-1817, KS-0000077M, AK-25245, AK172054, AS-30906, AB0069185, AJ-102890, AX8040097, AX8165607, DB-011708, ST2414297, TC-163630, AM20080523, FT-0648122, Z3797, (3S,4S)-1-N-Boc-3-amino-4-fluoropyrrolidine, 075B437, S11-0044, tert-Butyl (3R,4R)-3-amino-4-fluoro-pyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid, 3-amino-4-fluoro-, 1,1-dimethylethyl ester, (3R,4S)-, C9H17FN2O2, trans-1-Boc-3-amino-4-fluoropyrrolidine, (3S,4R)-tert-butyl 3-amino-4-fluoropyrrolidine-1-carboxylate, tert-butyl trans-3-amino-4-fluoropyrrolidine-1-carboxylate, (3S,4S)-tert-butyl3-amino-4-fluoropyrrolidine-1-carboxylate, (3S,4S)-tert-butyl 3-amino-4-fluoropyrrolidine-1-carboxylate oxalate, 1009075-48-2,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	204.127g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.245g/mol
Monoisotopic Mass	204.127g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H318
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310-P305+P351+P338
UN Code	UN 2811

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