AG001GSV

1416444-82-0 | 2,4-Morpholinedicarboxylic acid, 6,6-dimethyl-, 4-(1,1-dimethylethyl) ester, (2S)-

AG001GSV

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CAS Number	1416444-82-0
Catalog Number	AG001GSV(AGN-PC-0WG37E)
Chemical Name	2,4-Morpholinedicarboxylic acid, 6,6-dimethyl-, 4-(1,1-dimethylethyl) ester, (2S)-
IUPAC Name	(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
InChI	InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-6-8(9(14)15)17-12(4,5)7-13/h8H,6-7H2,1-5H3,(H,14,15)/t8-/m0/s1
InChI Key	UVCRSTLUNAIJQQ-QMMMGPOBSA-N
MDL Number	MFCD22690359
Molecular Formula	C12H21NO5
Molecular Weight	259.2988
SMILES	O=C([C@@H]1CN(C(OC(C)(C)C)=O)CC(C)(C)O1)O
Synonyms	(S)-4-(TERT-BUTOXYCARBONYL)-6,6-DIMETHYLMORPHOLINE-2-CARBOXYLIC ACID, 1416444-82-0, KS-00000LBD, MFCD22690359, ZINC91692677, AKOS027330663, DS-12429,

Complexity	345
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	259.142g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	259.302g/mol
Monoisotopic Mass	259.142g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	76.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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