AGN 192836 50mg

CAT: 0628-A13013-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A13013-50Size:50 mg

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

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CAS Number

171102-29-7

Chemical Information

(1H-Imidazol-2-yl)-(5-methyl-2,3-dihydro-benzo[1,4]dioxin-6-yl)-amine

CAS Number	171102-29-7
PubChem CID	10176999
IUPAC Name	N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-amine
Molecular Formula	C12H13N3O2
Molecular Weight	231.25
XLogP	2
Topological Polar Surface Area	59.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	264

SMILES

CC1=C(C=CC2=C1OCCO2)NC3=NC=CN3

InChI

InChI=1S/C12H13N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-5H,6-7H2,1H3,(H2,13,14,15)

InChIKey

NDFYRGCPDAFQDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 171102-29-7

CID: 10176999

Formula: C12H13N3O2

MW: 231.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.25
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	231.100776666
Monoisotopic Mass	231.100776666
Topological Polar Surface Area	59.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	264
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

Catalog	Name
HY-100300-01	AGN 192836
HY-100300R	AGN 192836 (Standard)
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