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ASS234

CAT: 0013-GTR19195735-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195735-02Size:50 mg
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Description
ASS234
CAS Number
1334106-34-1
Field of Research
Neuroscience
Smiles
CN1C=2C (C=C1CN (CC#C) C) =CC (OCCCC3CCN (CC4=CC=CC=C4) CC3) =CC2
Molecular Formula
C29H37N3O
Molecular Weight
443.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ass234
CAS Number1334106-34-1
PubChem CID53378764
IUPAC NameN-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine
Molecular FormulaC29H37N3O
Molecular Weight443.6
XLogP4.9
Topological Polar Surface Area20.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity616
SMILES
CN1C2=C(C=C(C=C2)OCCCC3CCN(CC3)CC4=CC=CC=C4)C=C1CN(C)CC#C
InChI
InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3
InChIKey
ADCBAOTWERXLAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ass234
CAS: 1334106-34-1
CID: 53378764
Formula: C29H37N3O
MW: 443.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.6
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass443.293662812
Monoisotopic Mass443.293662812
Topological Polar Surface Area20.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T30176-01ASS234

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