NVS-SM2

CAT: 0607-BA3992-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3992-1Size:1 mg

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

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CAS Number

1562333-92-9

Form

A solid

Molecular Formula

C23H30N6O

Molecular Weight

406.52

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Nvs-SM2

CAS Number	1562333-92-9
PubChem CID	136598218
IUPAC Name	2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
Molecular Formula	C23H30N6O
Molecular Weight	406.5
XLogP	2.9
Topological Polar Surface Area	90
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	568

SMILES

CC1(CC(CC(N1)(C)C)N(C)C2=NN=C(C=C2)C3=C(C=C(C=C3)C4=CNN=C4)O)C

InChI

InChI=1S/C23H30N6O/c1-22(2)11-17(12-23(3,4)28-22)29(5)21-9-8-19(26-27-21)18-7-6-15(10-20(18)30)16-13-24-25-14-16/h6-10,13-14,17,28,30H,11-12H2,1-5H3,(H,24,25)

InChIKey

XSBJQWNBBMWICJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1562333-92-9

CID: 136598218

Formula: C23H30N6O

MW: 406.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	406.5
XLogP3	2.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	406.24810960
Monoisotopic Mass	406.24810960
Topological Polar Surface Area	90 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	568
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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