Products for Research Use Only
RegisterLogin

Compound Fr12875

CAT: 0931-Fr12875-01Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-Fr12875-01Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
852180-72-4
Bioactivity
Compound Fr12875, with CAS No. 852180-72-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12875 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.
Smiles
CNCC1=CC=CC(=C1)C1=CC=CN=C1
Molecular Formula
C13H14N2
Molecular Weight
198.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Methyl-N-(3-pyridin-3-ylbenzyl)amine
CAS Number852180-72-4
PubChem CID7060576
IUPAC NameN-methyl-1-(3-pyridin-3-ylphenyl)methanamine
Molecular FormulaC13H14N2
Molecular Weight198.26
XLogP1.8
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity181
SMILES
CNCC1=CC(=CC=C1)C2=CN=CC=C2
InChI
InChI=1S/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3
InChIKey
LZJRRTLTBULOHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methyl-N-(3-pyridin-3-ylbenzyl)amine
CAS: 852180-72-4
CID: 7060576
Formula: C13H14N2
MW: 198.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.26
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass198.115698455
Monoisotopic Mass198.115698455
Topological Polar Surface Area24.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity181
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
Fr12870-01Compound Fr12870
Fr12873-01Compound Fr12873
Fr12785-01Compound Fr12785
Fr12675-01Compound Fr12675
Fr12975-01Compound Fr12975
Fr12825-01Compound Fr12825
Fr12865-01Compound Fr12865
Fr12175-01Compound Fr12175
Fr12375-01Compound Fr12375
Fr12876-01Compound Fr12876

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

Popular Products