AG003Q0K

170844-49-2 | 1-tert-Butyl 3-ethyl pyrrolidine-1,3-dicarboxylate

AG003Q0K

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CAS Number	170844-49-2
Catalog Number	AG003Q0K(AGN-PC-0K6AHK)
Chemical Name	1-tert-Butyl 3-ethyl pyrrolidine-1,3-dicarboxylate
IUPAC Name	1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate
InChI	InChI=1S/C12H21NO4/c1-5-16-10(14)9-6-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChI Key	PKDQVUYUWUHNMG-UHFFFAOYSA-N
MDL Number	MFCD03791256
Molecular Formula	C12H21NO4
Molecular Weight	243.2994
SMILES	O=C(N1CC(C(OCC)=O)CC1)OC(C)(C)C
Synonyms	170844-49-2, Ethyl 1-Boc-3-pyrrolidinecarboxylate, 1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate, Pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester, MFCD03791256, Ethyl 1-Boc-3-pyrrolidine-carboxylate, 1,3-PYRROLIDINEDICARBOXYLIC ACID, 1-(1,1-DIMETHYLETHYL) 3-ETHYL ESTER, 1-tert-butyl 3-ethylpyrrolidine-1,3-dicarboxylate, PubChem14290, AC1N5CNL, AC1Q34JF, KSC915M2D, SCHEMBL3787646, CTK8B5621, DTXSID90400631, PKDQVUYUWUHNMG-UHFFFAOYSA-N, ETHYL 1-BOC-BETA-PROLINATE, ACN-S002890, ACT01722, BCP15392, ANW-49349, BBL101328, CE-287, HT1126, RW3844, STL555124, AKOS005258666, AC-4767, ACN-036311, DS-0591, N-Boc- 3-ethyl pyrrolidine-carboxylate, PB24823, QC-3324, RP28583, RP28588, TRA0040968, TRA0045136, AK-27254, AN-11659, BC677031, BR-27254, EN001403, N-BOC-DL-BETA-PROLINE ETHYL ESTER, SC-23600, SY003192, SY015625, AB0047927, AB1001547, DB-014782, TL8001344, TR-007495, 4CH-006345, AM20090023, FT-0601858, ST24032236, A-6765, E30150, MFCD03791256 (95+%), MFCD19442798 (95+%), 844E492, I11-0291, J-520527, 1-(tert-butyl) 3-ethyl pyrrolidine-1,3-dicarboxylate, 170844-49-2 Ethyl 1-Boc-3-pyrrolidinecarboxylate, O1-tert-butyl O3-ethyl pyrrolidine-1,3-dicarboxylate, 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate, 1-tert-butyl 3-ethyl 1H-pyrrole-1,3(2H,5H)dicarboxylate, (+/-)-1-BOC-PYRROLIDINE-3-CARBOXYLIC ACID ETHYL ESTER, (5-AMINO-1H-1,2,4-TRIAZOL-3-YL)(PYRROLIDIN-1-YL)ME, 1-(tert-butoxycarbonyl)-3-pyrrolidinecarboxylic acid ethyl ester, Pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester, AldrichCPR, 188528-94-1, null, Ethyl (R)-1-Boc-3-pyrrolidinecarboxylate, CID4192972, Tert-butyl Ethyl Pyrrolidine-1,3-dicarboxylate, (S)-1-tert-butyl 3-ethyl pyrrolidine-1,3-dicarboxylate, 1314419-65-2, Ethyl 1-BOC-3-pyrrolidinecarboxylate;N-Boc- 3-ethyl pyrrolidine-carboxylate, 1158751-03-1, 1421256-03-2, 823217-70-5,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.147g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.303g/mol
Monoisotopic Mass	243.147g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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