AG003O3P

31970-04-4 | Benzyl 2,5-dihydro-1H-pyrrole-1-carboxylate

AG003O3P

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CAS Number	31970-04-4
Catalog Number	AG003O3P(AGN-PC-0JU8KQ)
Chemical Name	Benzyl 2,5-dihydro-1H-pyrrole-1-carboxylate
EC Number	608-686-9
IUPAC Name	benzyl 2,5-dihydropyrrole-1-carboxylate
InChI	InChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-7H,8-10H2
InChI Key	XSKKIFJNZPNVGO-UHFFFAOYSA-N
MDL Number	MFCD01863559
Molecular Formula	C12H13NO2
Molecular Weight	203.2371
SMILES	O=C(N1CC=CC1)OCC2=CC=CC=C2
Synonyms	31970-04-4, benzyl 2,5-dihydro-1H-pyrrole-1-carboxylate, Benzyl 3-pyrroline-1-carboxylate, 1-Cbz-2,5-dihydro-1H-pyrrole, N-Cbz-2,5-dihydropyrrole, N-CBZ-3-PYRROLINE, benzyl 2,5-dihydropyrrole-1-carboxylate, N-Carbobenzoxy-3-pyrroline, Benzyl 2H-pyrrole-1(5H)-carboxylate, 1H-pyrrole-1-carboxylic acid, 2,5-dihydro-, phenylmethyl ester, Benzyl 3-pyrroline-1-carboxylate, 98%, AC1LD7AV, SCHEMBL92054, KSC496I1N, 1-benzyloxycarbonyl-3-pyrroline, CTK3J6416, Benzyl-3-pyrroline-1-carboxylate, DTXSID60349189, Benzyl-3-pyrrolidine1-carboxylate, XSKKIFJNZPNVGO-UHFFFAOYSA-N, ZINC403280, 1-(Benzyloxycarbonyl)-3-pyrroline, ANW-53741, MFCD01863559, AKOS015919424, AKOS025243427, Benzyl 3-Pyrroline-1-Carboxylate 90, CS-W002856, FS-3352, LS20565, PB18547, QC-4178, RTX-010874, TRA0050502, Benzyl 3-pyrroline-1-carboxylate, 90%, AC-28114, AJ-22007, AK-49681, BP-12381, BR-49681, EN002107, N-(BENZYLOXYCARBONYL)-3-PYRROLINE, SC-47575, SY021710, 3-Pyrroline-1-carboxylic acid benzyl ester, AB0030942, DB-068559, ST1261413, 4CH-001757, FT-0655594, X3222, Benzyl-2,5-dihydro-1H-pyrrole-1-carboxylate, MFCD01863559 (95%), M-2189, (phenylmethyl) 2,5-dihydropyrrole-1-carboxylate, 2,5-Dihydropyrrole-1-carboxylic acid benzyl ester, 970B044, A821080, phenylmethyl 2,5-dihydro-1H-pyrrole-1-carboxylate, 2,5-Dihydro-pyrrole-1-carboxylic acid benzyl ester, J-018580, S11-0036, 2,5-dihydropyrrole-1-carboxylic acid (phenylmethyl) ester, InChI=1/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-7H,8-10H, C12H13NO2, N-(Benzyloxycarbonyl)3-pyrroline, CID643471, C2872, Benzyl 3-pyrroline-1-carboxylate, 90% - 25G 25g, N/A,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.095g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	203.241g/mol
Monoisotopic Mass	203.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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