AG0025AF

17740-40-8 | 2,5-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl)-, 2,5-diethyl ester

AG0025AF

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CAS Number	17740-40-8
Catalog Number	AG0025AF(AGN-PC-0WB2K1)
Chemical Name	2,5-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl)-, 2,5-diethyl ester
IUPAC Name	diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
InChI	InChI=1S/C17H23NO4/c1-3-21-16(19)14-10-11-15(17(20)22-4-2)18(14)12-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3
InChI Key	LDUSEIANLSWKPY-UHFFFAOYSA-N
MDL Number	MFCD00830964
Molecular Formula	C17H23NO4
Molecular Weight	305.3688
NSC Number	143948
SMILES	CCOC(=O)C1CCC(N1CC1=CC=CC=C1)C(=O)OCC
Synonyms	diethyl 1-benzylpyrrolidine-2,5-dicarboxylate, 17740-40-8, diethyl meso-1-benzyl-2,5-pyrrolidinedicarboxylate, 1-BENZYL-PYRROLIDINE-2,5-DICARBOXYLIC ACID DIETHYL ESTER, 2,5-diethyl 1-benzylpyrrolidine-2,5-dicarboxylate, (2S,5R)-Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate, W-206245, Diethyl-1-benzylpyrrolidine-2,5-dicarboxylate, NSC143948, PubChem15289, diethyl1-benzylpyrrolidine-2,5-dicarboxylate, AC1L64J3, AC1Q64U9, AMBZ0324, SCHEMBL3718243, CTK8B7165, KS-00002AOV, LDUSEIANLSWKPY-UHFFFAOYSA-N, ZX-AT003700, ANW-56568, MFCD00830964, AKOS015904652, AB07365, AM85633, AN-1463, NSC-143948, OR25711, PS-7103, RP06857, ACM17740408, AC-28240, BP-10344, CC-26601, AX8124537, DB-012957, TC-145313, 4CH-000204, FT-0624814, ST24030331, Y8017, K-5440, 740D408, A812253, C-32171, diethyl 1-benzylpyrrolidine-2,5-dicarboxylate HCl, 1-BENZYL-2,5-BIS(ETHOXYCARBONYL)PYRROLIDINE, diethyl 1-(phenylmethyl)pyrrolidine-2,5-dicarboxylate, I14-16895, 1-(phenylmethyl)pyrrolidine-2,5-dicarboxylic acid diethyl ester, 2,5-PYRROLIDINEDICARBOXYLIC ACID, 1-(PHENYLMETHYL)-, 2,5-DIETHYL ESTER, 1-Benzyl-2,5-bis(ethoxycarbonyl)pyrrolidine, {[2,5-Bis(ethoxycarbonyl)pyrrolidin-2-yl]methyl}benzene, C17H23NO4, AR-1I4325, CID286120, 52321-06-9, 93478-48-9, 52645-68-8,

Complexity	353
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	305.163g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	305.374g/mol
Monoisotopic Mass	305.163g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2735

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