AG01DUD5

Name: 3-{[4-(hydroxymethyl)-3-methyl-2,6-dinitrophenyl]amino}pentan-2-ol
Brand: Angene Chemical
SKU: AG01DUD5

127971-67-9 | 3-{[4-(hydroxymethyl)-3-methyl-2,6-dinitrophenyl]amino}pentan-2-ol

AG01DUD5

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CAS Number	127971-67-9
Catalog Number	AG01DUD5
Chemical Name	3-{[4-(hydroxymethyl)-3-methyl-2,6-dinitrophenyl]amino}pentan-2-ol
IUPAC Name	3-[4-(hydroxymethyl)-3-methyl-2,6-dinitroanilino]pentan-2-ol
InChI	InChI=1S/C13H19N3O6/c1-4-10(8(3)18)14-12-11(15(19)20)5-9(6-17)7(2)13(12)16(21)22/h5,8,10,14,17-18H,4,6H2,1-3H3
InChI Key	GWZPKSACAXIJKR-UHFFFAOYSA-N
MDL Number	MFCD31689855
Molecular Formula	C13H19N3O6
Molecular Weight	313.3065
SMILES	OCC1=C(C(=C(C(=C1)[N+](=O)[O-])NC(C(C)O)CC)[N+](=O)[O-])C
Synonyms	3-((4-(hydroxymethyl)-3-methyl-2,6-dinitrophenyl)amino)pentan-2-ol, 127971-67-9,

Complexity	396
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	313.127g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	313.31g/mol
Monoisotopic Mass	313.127g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	144A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.8

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited