AG00DF5A

470482-41-8 | (2S,4S)-N-TERT-BUTOXYCARBONYL-4-TRIFLUOROMETHYLPROLINE

AG00DF5A

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CAS Number	470482-41-8
Catalog Number	AG00DF5A(AGN-PC-0RUVYY)
Chemical Name	(2S,4S)-N-TERT-BUTOXYCARBONYL-4-TRIFLUOROMETHYLPROLINE
IUPAC Name	(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
InChI	InChI=1S/C11H16F3NO4/c1-10(2,3)19-9(18)15-5-6(11(12,13)14)4-7(15)8(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7-/m0/s1
InChI Key	OHIYKPXMNWXZQH-BQBZGAKWSA-N
MDL Number	MFCD08460520
Molecular Formula	C11H16F3NO4
Molecular Weight	283.2442
SMILES	CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(O)=O)C(F)(F)F
Synonyms	470482-41-8, (2S,4S)-1-(tert-butoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid, (2S,4S)-N-tert-Butoxycarbonyl-4-trifluoromethylproline, (2S,4S)-1-[(tert-butoxy)carbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid, N-T-BOC-CIS-4-TRIFLUOROMETHYL-L-PROLINE, (2S,4S)-1-Boc-4-trifluoromethylpyrrolidine-2-carboxylic acid, (2S,4S)-1-(tert-Butoxycarbonyl)-4-(trifluoromethyl)-pyrrolidine-2-carboxylic acid, AC1Q1MVN, SCHEMBL1603943, CTK7I3182, DTXSID70465546, ANW-54816, MFCD08460520, ZINC21987326, AKOS015962608, MCULE-2915008183, PB14590, AJ-79516, AS-34580, BC212039, TC-143561, CS-0053416, EN300-60590, Q-3377, (2S, 4S)-N-BOC-4-TRIFLUOROMETHYLPROLINE, N-t-BOC-cis-4-trifluoromethyl-L-proline, AldrichCPR, Z1270400008, (4S)-1-(tert-Butoxycarbonyl)-4-(trifluoromethyl)-L-proline, (2S,4S)-4-(trifluoromethyl)-1,2-Pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester, 4alpha-(Trifluoromethyl)pyrrolidine-1,2alpha-dicarboxylic acid 1-tert-butyl ester, CID11426084, (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic Acid,

Complexity	375
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	283.103g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	283.247g/mol
Monoisotopic Mass	283.103g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code	UN 2811

Certificate of Analysis

Lot Number