AG002AM5

197143-33-2 | 1-Pyrrolidinecarboxylic acid, 3-cyano-4-hydroxy-, 1,1-dimethylethyl ester

AG002AM5

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CAS Number	197143-33-2
Catalog Number	AG002AM5(AGN-PC-0CK39W)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-cyano-4-hydroxy-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate
InChI	InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-5-7(4-11)8(13)6-12/h7-8,13H,5-6H2,1-3H3
InChI Key	IEGAWSYJCQMVBM-UHFFFAOYSA-N
MDL Number	MFCD01318457
Molecular Formula	C10H16N2O3
Molecular Weight	212.2456
SMILES	CC(OC(N1CC(C#N)C(O)C1)=O)(C)C
Synonyms	1-Boc-3-Cyano-4-hydroxypyrrolidine, 197143-33-2, tert-butyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate, AK-24712, J-504356, 1-Pyrrolidinecarboxylicacid, 3-cyano-4-hydroxy-, 1,1-dimethylethyl ester, 215922-85-3, N-Boc-3-cyano-4-hydroxypyrrolidine, SCHEMBL219779, CTK8B6038, DTXSID90445042, IEGAWSYJCQMVBM-UHFFFAOYSA-N, ANW-52227, MFCD01318457, AKOS015837054, CHM0068145, FCH1620285, GS-4484, RP26680, BBV-44996375, BR-24712, SC-43712, AB0023174, AX8159636, DB-065929, TR-009141, 4CH-008384, FT-0687901, ST24031762, W4177, KS-00002604, EN300-137041, I14-31973, Z1741974402, 1,1-dimethylethyl 3-cyano-4-hydroxy-1-pyrrolidinecarboxylate, rac-3-cyano-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylic acid, 3-cyano-4-hydroxy-, 1,1-dimethylethyl ester, TERT-BUTYL (3R,4R)-3-CYANO-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE, C10H16N2O3, CID10798587, C-1309, N-Boc-3-cyano-4-hydroxypyrrolidine, 97% - 1G 1g, Tert-butyl 3-cyano-4-hydroxy-pyrrolidine-1-carboxylate, trans-tert-Butyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.116g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.249g/mol
Monoisotopic Mass	212.116g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	73.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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