AG003S16

17012-21-4 | methyl 1-benzylpyrrolidine-3-carboxylate

AG003S16

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CAS Number	17012-21-4
Catalog Number	AG003S16(AGN-PC-0K6A40)
Chemical Name	methyl 1-benzylpyrrolidine-3-carboxylate
IUPAC Name	methyl 1-benzylpyrrolidine-3-carboxylate
InChI	InChI=1S/C13H17NO2/c1-16-13(15)12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChI Key	GDWFCUOFVSNTTG-UHFFFAOYSA-N
MDL Number	MFCD04038678
Molecular Formula	C13H17NO2
Molecular Weight	219.2796
SMILES	O=C(C1CN(CC2=CC=CC=C2)CC1)OC
Synonyms	17012-21-4, Methyl 1-benzylpyrrolidine-3-carboxylate, Methyl N-Benzyl-3-pyrrolidinecarboxylate, 1-Benzyl-pyrrolidine-3-carboxylic acid methyl ester, MFCD04038678, methyl -1-benzylpyrrolidine-3carboxylate, methyl 1-benzyl-3-pyrrolidinecarboxylate, 126344-02-3, 3-PYRROLIDINECARBOXYLIC ACID, 1-(PHENYLMETHYL)-, METHYL ESTER, PubChem12685, AC1NE2IF, KSC533I9H, SCHEMBL1717074, Jsp003468, CTK4D3493, GDWFCUOFVSNTTG-UHFFFAOYSA-N, ACN-S002916, BCP15617, CS-D0750, N-benzyl-3-carbomethoxy pyrrolidine, ANW-50438, RW3002, AKOS005215916, AC-1710, CM-1014, DS-1369, MCULE-8285119407, methyl-1-benzylpyrrolidine-3carboxylate, PB20099, QC-1977, RP07670, SB19987, TRA0037349, Methyl 1-benzyl-3-pyrrolidylcarboxylate, AK-44292, AN-14700, BC223724, BR-44292, EN002089, SC-24063, SY004093, AB0022777, DB-030037, TL8001331, TR-007443, 4CH-006364, AM20030136, C3104, FT-0652874, FT-0658116, M2866, N-BENZYL-3-METHOXYCARBONYLPYRROLIDINE, ST24033231, W3709, (+/-) 1-Benzyl-3-methoxycarbonylpyrrolidine, (+/-) Methyl 1-benzyl-3-pyrrolidylcarboxvlate, (+/-) methyl 1-benzyl-4-pyrrolidylcarboxylate, C-8193, M30350, MFCD04038678 (97+%), 012M214, 1-Benzyl-3-pyrrolidinecarboxylic acid methyl ester, 1-benzylpyrrolidine-3-carboxylic acid methyl ester, A805547, I11-0022, S11-0040, W-206000, F1967-3059, methyl (+/-)-1-(phenylmethyl)-3-pyrrolidinecarboxylate, N-BENZYLPYRROLIDINE-3-CARBOXYLIC ACID METHYL ESTER, (R/S)-1-Benzyl-pyrrolidin-3-yl carboxylic acid, methyl ester, (R/S)-1-Benzyl-pyrrolidin-3yl carboxylic acid, methyl ester, 3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, methyl ester, C13H17NO2, ACN-036725, CID4610751, A3756, METHYL N-BENZYLPYRROLIDINE-3-CARBOXYLATE, methyl 1-(phenylmethyl)pyrrolidine-3-carboxylate, METHYL 1-BENZYLLPYRROLIDINE-3-CARBOXYLATE, 1-(phenylmethyl)-3-pyrrolidinecarboxylic acid methyl ester, 51535-00-3,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.126g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.284g/mol
Monoisotopic Mass	219.126g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

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