AG0033WY

769087-80-1 | 4-Benzylmorpholine-2-carboxylic acid

AG0033WY

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CAS Number	769087-80-1
Catalog Number	AG0033WY(AGN-PC-0JVOEF)
Chemical Name	4-Benzylmorpholine-2-carboxylic acid
IUPAC Name	4-benzylmorpholine-2-carboxylic acid
InChI	InChI=1S/C12H15NO3/c14-12(15)11-9-13(6-7-16-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
InChI Key	UJDWIUOGWSDEFP-UHFFFAOYSA-N
MDL Number	MFCD06410628
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
SMILES	O=C(C1CN(CC2=CC=CC=C2)CCO1)O
Synonyms	4-benzylmorpholine-2-carboxylic acid, 769087-80-1, 4-Benzyl-morpholine-2-carboxylic acid, 4-Benzyl-2-morpholinecarboxylic acid, 2-Morpholinecarboxylicacid, 4-(phenylmethyl)-, 2-MORPHOLINECARBOXYLIC ACID, 4-(PHENYLMETHYL)-, (R)-4-BENZYLMORPHOLINE-2-CARBOXYLIC ACID, 4-Benzyl-morpholine-2-carboxylicacid, SDCCGMLS-0065966.P001, AC1MCQWN, ACMC-209p6s, AC1Q74PG, Oprea1_606346, KSC643K6F, SCHEMBL159384, CTK5E3562, DTXSID40380010, UJDWIUOGWSDEFP-UHFFFAOYSA-N, BCP26842, ANW-36914, MFCD06410628, SBB053359, AKOS009158037, AB24765, ACN-039422, CB-3081, CS-W001889, DS-1760, MCULE-1383349208, RP27323, RTC-061213, TRA0025720, VZ28357, KS-000004Z8, AK-39525, AN-13179, BC652982, BR-39525, SC-28290, SC-36239, SY004909, TS-03170, AB0026645, AB1000281, DB-031857, ST2411123, TC-061213, 4CH-013631, A9741, AM20041144, FT-0083224, FT-0651324, W8357, A-2252, B64507, MFCD06410628 (97+%), 4-benzyl-morpholine-2-carboxylic acid, AldrichCPR, 4-(PHENYLMETHYL)-2-MORPHOLINECARBOXYLIC ACID, Q-102501, null, C12H15NO3, CID2776353, (S)-4-BENZYLMORPHOLINE-2-CARBOXYLIC ACID, 4-Benzyl-morpholine-2-carboxylic acid 1HCl salt, 4-Benzyl-2-morpholinecarboxylic Acid Hydrochloride, 1030837-49-0, 1260610-90-9,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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