CS 224

CAT: 0931-T31103Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T31103Size:25 mg

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

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CAS Number

78541-81-8

Target

Others

Related Pathways

Others

Bioactivity

CS 224 is a bio-active chemical.

Smiles

OC1=C2C([C@]3([C@@](CC2)(NCCC3)[H])[H])=CC=C1O

Molecular Formula

C13H17NO2

Molecular Weight

219.28

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CS 224

RN given refers to (cis)-isomer

CAS Number	78541-81-8
PubChem CID	192171
IUPAC Name	(4aR,10bS)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,8-diol
Molecular Formula	C13H17NO2
Molecular Weight	219.28
XLogP	1.8
Topological Polar Surface Area	52.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	258

SMILES

C1C[C@@H]2[C@@H](CCC3=C2C=CC(=C3O)O)NC1

InChI

InChI=1S/C13H17NO2/c15-12-6-4-8-9-2-1-7-14-11(9)5-3-10(8)13(12)16/h4,6,9,11,14-16H,1-3,5,7H2/t9-,11+/m0/s1

InChIKey

NMEWFOHCMGSVTR-GXSJLCMTSA-N

Chemical Structure

2D Structure

CAS: 78541-81-8

CID: 192171

Formula: C13H17NO2

MW: 219.28

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	219.28
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	219.125928785
Monoisotopic Mass	219.125928785
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	258
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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CS 224

Chemical Information

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