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Compound Fr13037

CAT: 0013-GTR19269870-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269870-01Size:1 mg
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Description
Compound Fr13037, with CAS No. 91271-80-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13037 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
91271-80-6
Smiles
NCc1cccc (CN2CCCCC2) c1
Molecular Formula
C13H20N2
Molecular Weight
204.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Piperidin-1-ylmethyl-benzylamine
CAS Number91271-80-6
PubChem CID2794678
IUPAC Name[3-(piperidin-1-ylmethyl)phenyl]methanamine
Molecular FormulaC13H20N2
Molecular Weight204.31
XLogP1.5
Topological Polar Surface Area29.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity175
SMILES
C1CCN(CC1)CC2=CC=CC(=C2)CN
InChI
InChI=1S/C13H20N2/c14-10-12-5-4-6-13(9-12)11-15-7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11,14H2
InChIKey
BMNFPARGJHNMAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Piperidin-1-ylmethyl-benzylamine
CAS: 91271-80-6
CID: 2794678
Formula: C13H20N2
MW: 204.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.31
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass204.162648646
Monoisotopic Mass204.162648646
Topological Polar Surface Area29.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity175
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

Related Products

CatalogName
GTR19269872-01Compound Fr13057
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GTR19269986-01Compound Fr13837
GTR19269966-01Compound Fr13737
GTR19269869-01Compound Fr13035
GTR19269932-01Compound Fr13547
GTR19269897-01Compound Fr13232
GTR19269893-01Compound Fr13217
GTR19269876-01Compound Fr13095
GTR19269961-01Compound Fr13703

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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