AG000KRL

1235387-14-0 | 3-Morpholinecarboxylic acid, 4-(phenylmethyl)-, methyl ester, (3S)-

AG000KRL

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CAS Number	1235387-14-0
Catalog Number	AG000KRL(AGN-PC-0WADNH)
Chemical Name	3-Morpholinecarboxylic acid, 4-(phenylmethyl)-, methyl ester, (3S)-
IUPAC Name	methyl (3S)-4-benzylmorpholine-3-carboxylate
InChI	InChI=1S/C13H17NO3/c1-16-13(15)12-10-17-8-7-14(12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m0/s1
InChI Key	YVELAJKOOJJTME-LBPRGKRZSA-N
MDL Number	MFCD09756521
Molecular Formula	C13H17NO3
Molecular Weight	235.2790
SMILES	C(C1=CC=CC=C1)N2CCOC[C@H]2C(=O)OC
Synonyms	1235387-14-0, (S)-Methyl 4-benzylmorpholine-3-carboxylate, Methyl (S)-4-Benzyl-3-morpholinecarboxylate, Methyl (3S)-4-benzylmorpholine-3-carboxylate, CTK6I6360, DTXSID70624555, 4492AA, ANW-59675, MFCD09756521, ZINC38580669, AKOS015994945, CM-2089, FCH2824598, RP28171, AJ-96632, AK-42380, AS-32361, CJ-19557, AB0000012, AB1000363, AX8209716, DB-020317, ST2402874, TC-063498, TC-148420, FT-0773027, S-1276, (S)-4-Benzyl-morpholine-3-carboxylic acid methyl ester, 3-Morpholinecarboxylic acid, 4-(phenylmethyl)-, methyl ester, (3S)-, null, C13H17NO3, ACN-031154, methyl 4-benzylmorpholine-3-(S)-carboxylate, 3-Morpholinecarboxylicacid,4-(phenylmethyl)-,methylester,(3S)-,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	235.121g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.283g/mol
Monoisotopic Mass	235.121g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	38.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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