AG0011F5

132945-76-7 | 1-Pyrrolidinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3R)-

AG0011F5

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CAS Number	132945-76-7
Catalog Number	AG0011F5(AGN-PC-0O12W8)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3R)-
IUPAC Name	tert-butyl (3R)-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-/m0/s1
InChI Key	VDDMCMFPUSCJNA-QMMMGPOBSA-N
MDL Number	MFCD05863904
Molecular Formula	C10H16N2O2
Molecular Weight	196.2462
SMILES	CC(C)(C)OC(=O)N1CC[C@H](C1)C#N
Synonyms	(R)-1-Boc-3-cyanopyrrolidine, 132945-76-7, (R)-tert-butyl 3-cyanopyrrolidine-1-carboxylate, (R)-1-Boc-3-cyano-pyrrolidine, (R)-1-N-Boc-3-Cyano-pyrrolidine, tert-butyl (3R)-3-cyanopyrrolidine-1-carboxylate, 1-pyrrolidinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3r)-, (R)-3-Cyano-pyrrolidine-1-carboxylic acid tert-butyl ester, (r)-1-n-boc-3-cyanopyrrolidine, AK-30239, PubChem11150, SCHEMBL13820, Jsp002003, CTK4B8261, KS-00000KBG, DTXSID70426990, VDDMCMFPUSCJNA-QMMMGPOBSA-N, ZINC2549346, ZX-RL005683, ANW-64149, CB-390, FCH921150, MFCD05863904, AKOS005258707, (R)-1-Boc-3-cyanopyrrolidine, 96%, AC-1459, CS-W009075, DS-0715, PB12838, RP25449, AJ-39570, AN-14890, BC226475, BR-30239, CJ-09341, OR307043, SC-20082, U358, AB0044074, AB1005740, AX8031771, ST2414421, TL8000783, TR-004501, (R)-(-)-1-BOC-3-CYANOPYRROLIDINE, (R)-(-)-1-Boc-3-cyanopyrrolidine, 95%, FT-0601704, (3r)-1-tert-butoxycarbonyl-3-cyanopyrrolidine, B-1552, B66768, C80192, (r)-tert-butyl-3-cyanopyrrolidine-1-carboxylate, tert-butyl (R)-3-cyanopyrrolidine-1-carboxylate, 945B767, tert-butyl (3R)-3-cyano-1-pyrrolidinecarboxylate, I14-3732, 1,1-dimethylethyl(3R)-3-cyano-1-pyrrolidinecarboxylate, 1,1-Dimethylethyl (3R)-3-cyano-1-pyrrolidinecarboxylate, (3R)-3alpha-Cyanopyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylicacid, 3-cyano-, 1,1-dimethylethyl ester, (3R)-, null, -1-Boc-3-cyanopyrrolidine, C10H16N2O2, ZINC02549346, CID7018344, (S)-1-N-BOC-3-CYANOPYRROLIDINE, 132945-78-9, 90531-99-0,

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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