AG0016FJ

1219426-63-7 | 3-Morpholinecarboxylic acid, 4-(phenylmethyl)-

AG0016FJ

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CAS Number	1219426-63-7
Catalog Number	AG0016FJ(AGN-PC-0K6A3L)
Chemical Name	3-Morpholinecarboxylic acid, 4-(phenylmethyl)-
IUPAC Name	4-benzylmorpholine-3-carboxylic acid
InChI	InChI=1S/C12H15NO3/c14-12(15)11-9-16-7-6-13(11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
InChI Key	XZVHBJHXLYHSNN-UHFFFAOYSA-N
MDL Number	MFCD04038515
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
SMILES	O=C(C1N(CC2=CC=CC=C2)CCOC1)O
Synonyms	4-benzylmorpholine-3-carboxylic Acid, 1219426-63-7, 4-benzyl-morpholine-3-carboxylic acid, 4-benzyl-3-morpholinecarboxylic acid, 4-(phenylmethyl)-3-Morpholinecarboxylic acid, PubChem18866, AC1N4FW4, SCHEMBL16714071, CTK7J0695, KS-00000AGT, DTXSID30400014, 4-Benzylmorpholine-3-carboxylicAcid, ACT07840, 4-Benzyl-morpholine-3-carboxylicacid, ANW-47955, MFCD04038515, AKOS012625495, AS06674, CS-W003139, TRA0049327, TRA0059037, AS-36483, BR-59650, SY005133, SY005139, SY008024, AB0004880, DB-061998, TC-136700, FT-0708277, ST24028899, X9510, MFCD06799463 (95%), 3-Morpholinecarboxylic acid, 4-(phenylmethyl)-, A-2254, MFCD04038515 (97+%), MFCD06799464 (97+%), 4-benzyl-morpholine-3-carboxylic acid, AldrichCPR, I14-20147, C12H15NO3, (R)-4-BENZYL-3-MORPHOLINECARBOXYLIC ACID, CID4154856, (S)-4-Benzylmorpholine-3-carboxylic acid, (S)-4-BENZYL-3-MORPHOLINECARBOXYLIC ACID, A13781, 929047-50-7, 1235011-96-7,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.256g/mol
Monoisotopic Mass	221.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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