BCI-121

CAT: 0607-BA4821-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4821-25Size:25 mg

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

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CAS Number

432529-82-3

Form

A solid

Molecular Formula

C14H18BrN3O2

Molecular Weight

340.22

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

1-[2-(4-Bromoanilino)-2-oxoethyl]piperidine-4-carboxamide

CAS Number	432529-82-3
PubChem CID	795875
IUPAC Name	1-[2-(4-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
Molecular Formula	C14H18BrN3O2
Molecular Weight	340.22
XLogP	2.1
Topological Polar Surface Area	75.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	348

SMILES

C1CN(CCC1C(=O)N)CC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrN3O2/c15-11-1-3-12(4-2-11)17-13(19)9-18-7-5-10(6-8-18)14(16)20/h1-4,10H,5-9H2,(H2,16,20)(H,17,19)

InChIKey

KSUYPIXCRPCPGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 432529-82-3

CID: 795875

Formula: C14H18BrN3O2

MW: 340.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.22
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	339.05824
Monoisotopic Mass	339.05824
Topological Polar Surface Area	75.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	348
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