BU 224 hydrochloride

CAT: 0127-BUP12990-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12990-01Size:5 mg

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

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CAS Number

205437-64-5

Purity

=98%

Smiles

Cl.C1CN=C(N1)c1ccc2ccccc2n1

Storage Conditions

Store at 2-8°C

Chemical Information

BU 224 hydrochloride

See also: BU224 Hcl (annotation moved to).

CAS Number	205437-64-5
PubChem CID	11957470
IUPAC Name	2-(4,5-dihydro-1H-imidazol-2-yl)quinoline;hydrochloride
Molecular Formula	C12H12ClN3
Molecular Weight	233.69
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	262

SMILES

C1CN=C(N1)C2=NC3=CC=CC=C3C=C2.Cl

InChI

InChI=1S/C12H11N3.ClH/c1-2-4-10-9(3-1)5-6-11(15-10)12-13-7-8-14-12;/h1-6H,7-8H2,(H,13,14);1H

InChIKey

DDFHQXAQWZWRSQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 205437-64-5

CID: 11957470

Formula: C12H12ClN3

MW: 233.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.69
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	233.0719751
Monoisotopic Mass	233.0719751
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	262
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	2
Compound Is Canonicalized	Yes

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