RGH-5526 50mg

CAT: 0628-A12454-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A12454-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

69579-13-1

Chemical Information

Gyki 11679

structure given in first source

CAS Number	69579-13-1
PubChem CID	9570779
IUPAC Name	tert-butyl (3E)-3-[(6-morpholin-4-ylpyridazin-3-yl)hydrazinylidene]butanoate
Molecular Formula	C16H25N5O3
Molecular Weight	335.40
XLogP	1.4
Topological Polar Surface Area	88.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	24
Formal Charge	0
Complexity	443

SMILES

C/C(=N\NC1=NN=C(C=C1)N2CCOCC2)/CC(=O)OC(C)(C)C

InChI

InChI=1S/C16H25N5O3/c1-12(11-15(22)24-16(2,3)4)17-18-13-5-6-14(20-19-13)21-7-9-23-10-8-21/h5-6H,7-11H2,1-4H3,(H,18,19)/b17-12+

InChIKey

YCVVCSICMNKDBE-SFQUDFHCSA-N

Chemical Structure

2D Structure

CAS: 69579-13-1

CID: 9570779

Formula: C16H25N5O3

MW: 335.40

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	335.40
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	335.19573968
Monoisotopic Mass	335.19573968
Topological Polar Surface Area	88.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	443
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes