VU0134992

CAT: 0127-BUP08912-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08912-03Size:25 mg

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

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CAS Number

755002-90-5

Synonyms

VU 0134992

Purity

=98%

Smiles

N(C(COC1=C(Br)C=C(C(C)C)C=C1)=O)C2CC(C)(C)NC(C)(C)C2

Chemical Information

2-(2-bromo-4-isopropylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

CAS Number	755002-90-5
PubChem CID	1319582
IUPAC Name	2-(2-bromo-4-propan-2-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
Molecular Formula	C20H31BrN2O2
Molecular Weight	411.4
XLogP	4.4
Topological Polar Surface Area	50.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	449

SMILES

CC(C)C1=CC(=C(C=C1)OCC(=O)NC2CC(NC(C2)(C)C)(C)C)Br

InChI

InChI=1S/C20H31BrN2O2/c1-13(2)14-7-8-17(16(21)9-14)25-12-18(24)22-15-10-19(3,4)23-20(5,6)11-15/h7-9,13,15,23H,10-12H2,1-6H3,(H,22,24)

InChIKey

OTTDLWFVHQYRDA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 755002-90-5

CID: 1319582

Formula: C20H31BrN2O2

MW: 411.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	411.4
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	410.15689
Monoisotopic Mass	410.15689
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	449
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