AG00D8FR

518047-40-0 | tert-Butyl 3-cyanomorpholine-4-carboxylate

AG00D8FR

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CAS Number	518047-40-0
Catalog Number	AG00D8FR(AGN-PC-035SRN)
Chemical Name	tert-Butyl 3-cyanomorpholine-4-carboxylate
IUPAC Name	tert-butyl 3-cyanomorpholine-4-carboxylate
InChI	InChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)12-4-5-14-7-8(12)6-11/h8H,4-5,7H2,1-3H3
InChI Key	QSBSEJKNKHZYKD-UHFFFAOYSA-N
MDL Number	MFCD09863125
Molecular Formula	C10H16N2O3
Molecular Weight	212.2456
SMILES	CC(C)(C)OC(=O)N1CCOCC1C#N
Synonyms	N-Boc-3-cyanomorpholine, tert-butyl 3-cyanomorpholine-4-carboxylate, 518047-40-0, (R)-tert-Butyl 3-cyanomorpholine-4-carboxylate, F2147-1718, (S)-tert-Butyl 3-cyanomorpholine-4-carboxylate, 4-Boc-3-cyanomorpholine, SCHEMBL3086236, CTK4J4884, DTXSID30610737, QSBSEJKNKHZYKD-UHFFFAOYSA-N, BH069, ACT08813, 7250AB, AB3363, ANW-59479, FC0083, MFCD09863125, AKOS016002236, AB53766, MCULE-7714382771, AK-37101, AS-44710, tert-butyl 3-cyano-4-morpholinecarboxylate, AB0085866, DB-023210, TC-148224, 4CH-023750, CS-0060966, FT-0689626, ST24049810, EN300-70731, X-1226, Z1262398523, 3-CYANO-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER, 4-MORPHOLINECARBOXYLIC ACID, 3-CYANO-, 1,1-DIMETHYLETHYL ESTER, C10H16N2O3, tert-butyl3-cyanomorpholine-4-carboxylate, A7627, tert-Butyl (3R)-3-cyanomorpholine-4-carboxylate, tert-Butyl (3S)-3-cyanomorpholine-4-carboxylate, 1257856-32-8, 1257856-86-2,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.116g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.249g/mol
Monoisotopic Mass	212.116g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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