AG0011F4

132945-78-9 | 1-Pyrrolidinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3S)-

AG0011F4

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CAS Number	132945-78-9
Catalog Number	AG0011F4(AGN-PC-0O12WF)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3S)-
IUPAC Name	tert-butyl (3S)-3-cyanopyrrolidine-1-carboxylate
InChI	InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-5,7H2,1-3H3/t8-/m1/s1
InChI Key	VDDMCMFPUSCJNA-MRVPVSSYSA-N
MDL Number	MFCD03419277
Molecular Formula	C10H16N2O2
Molecular Weight	196.2462
SMILES	O=C(N1C[C@@H](C#N)CC1)OC(C)(C)C
Synonyms	132945-78-9, (S)-1-Boc-3-cyanopyrrolidine, (S)-1-N-Boc-3-cyano-pyrrolidine, (S)-1-Boc-3-cyano-pyrrolidine, (S)-1-N-BOC-3-CYANOPYRROLIDINE, tert-butyl (3S)-3-cyanopyrrolidine-1-carboxylate, (S)-tert-butyl 3-cyanopyrrolidine-1-carboxylate, n-t-boc-3(s)-cyanopyrrolidine, (S)-3-Cyano-pyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylicacid, 3-cyano-, 1,1-dimethylethyl ester, (3S)-, (s)-tert-butyl-3-cyanopyrrolidine-1-carboxylate, Q-102854, Q-102860, 1-pyrrolidinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3s)-, AK-30413, AC1MBUDG, PubChem11147, SCHEMBL1968766, Jsp002004, CTK4B8262, (s)-1-boc-3-cyanopyrrolid..., DTXSID50373539, VDDMCMFPUSCJNA-MRVPVSSYSA-N, ACT08221, KS-000006OI, ZINC2585685, ZX-RL005684, ANW-52358, FCH920951, MFCD03419277, SBB067144, AKOS005258717, AKOS006343475, (S)-1-Boc-3-cyanopyrrolidine, 96%, AC-2239, CS-W009076, PB27598, RP25448, AJ-43573, AN-14155, BC226474, BR-30413, CC-01322, CJ-10397, DS-12034, OR307044, SC-14118, U359, (S)-1-t-butoxycarbonyl-3-cyanopyrrolidine, AB0000914, AB1005741, AX8012324, DB-005550, TL8000784, TR-004502, (S)-(+)-1-BOC-3-CYANOPYRROLIDINE, (S)-(+)-1-Boc-3-cyanopyrrolidine, 95%, AM20080236, FT-0082112, FT-0600984, ST24026668, tert-butyl (3S)-3-cyanopyrrolidinecarboxylate, A-5783, B66769, C80191, tert-butyl (S)-3-cyanopyrrolidine-1-carboxylate, (S)-1-N-(tert-Butoxycarbonyl)-3-cyanopyrrolidine, 945B789, C-08982, null, (R)-1-Boc-3-cyanopyrrolidine, C10H16N2O2, ZINC02549346, CB10649, CID2756789, tert-butyl 3-cyanopyrrolidine-1-carboxylate, tert-butyl (3R)-3-cyanopyrrolidine-1-carboxylate, 132945-76-7, 476493-40-0,

Complexity	272
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	196.121g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.25g/mol
Monoisotopic Mass	196.121g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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