AG004B30

885958-67-8 | Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate

AG004B30

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CAS Number	885958-67-8
Catalog Number	AG004B30(AGN-PC-05851I)
Chemical Name	Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
IUPAC Name	methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
InChI	InChI=1S/C14H19NO2/c1-11-8-15(10-13(11)14(16)17-2)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChI Key	KLQYKJMMAPSQCP-UHFFFAOYSA-N
MDL Number	MFCD05662801
Molecular Formula	C14H19NO2
Molecular Weight	233.3062
SMILES	O=C(C1CN(CC2=CC=CC=C2)CC1C)OC
Synonyms	methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate, 885958-67-8, 1-Benzyl-4-methyl-pyrrolidine-3-carboxylic acid methyl ester, trans-methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate, 181114-98-7, (3S,4S)-methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate, AC1MUBH7, SCHEMBL875727, CTK5G0854, KLQYKJMMAPSQCP-UHFFFAOYSA-N, CS-M0342, KS-00001AE4, MFCD05662801, AKOS016011076, MCULE-4102853077, NE31139, AK687408, AM805733, CS-14258, SY096674, DB-078019, FT-0729471, X6740, MFCD05662801 (95%), B64044, 958B678, Methyl 1-benzyl-4-methyl-3-pyrrolidinecarboxylate, S14-2144, Z1395595940, 1-Benzyl-4-methylpyrrolidine-3-carboxylic acid methyl ester, methyl (3RS,4RS)-1-benzyl-4-methyl-pyrrolidine-3-carboxylate, 3-Pyrrolidinecarboxylicacid, 4-methyl-1-(phenylmethyl)-, methyl ester, C14H19NO2, CID3638244, Methyl1-benzyl-4-methylpyrrolidine-3-carboxylate, methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate, Methyl 1-benzyl-4-methyl-pyrrolidine-3-carboxylate, METHYL-1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBOXYLATE, 473914-76-0, 1821770-21-1, 261896-27-9,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.142g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.311g/mol
Monoisotopic Mass	233.142g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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