Products for Research Use Only
RegisterLogin

Compound Fr13780

CAT: 0013-GTR19269975-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19269975-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Compound Fr13780, with CAS No. 1138011-17-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13780 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
1138011-17-2
Smiles
Cl.NCc1ccncn1
Molecular Formula
C5H8ClN3
Molecular Weight
145.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(Pyrimidin-4-yl)methanamine--hydrogen chloride (1/1)

Pyrimidin-4-ylmethanamine hydrochloride is an aralkylamine.

CAS Number1138011-17-2
PubChem CID42614178
IUPAC Namepyrimidin-4-ylmethanamine;hydrochloride
Molecular FormulaC5H8ClN3
Molecular Weight145.59
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity64
SMILES
C1=CN=CN=C1CN.Cl
InChI
InChI=1S/C5H7N3.ClH/c6-3-5-1-2-7-4-8-5;/h1-2,4H,3,6H2;1H
InChIKey
IHYUPLGHQKJENA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Pyrimidin-4-yl)methanamine--hydrogen chloride (1/1)
CAS: 1138011-17-2
CID: 42614178
Formula: C5H8ClN3
MW: 145.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.59
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass145.0406750
Monoisotopic Mass145.0406750
Topological Polar Surface Area51.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity64.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19269976-01Compound Fr13783
GTR19270017-01Compound Fr13980
GTR19269997-01Compound Fr13880
GTR19269977-01Compound Fr13784
GTR19269995-01Compound Fr13870
GTR19269974-01Compound Fr13776
GTR19269906-01Compound Fr13290
GTR19269901-01Compound Fr13281
GTR19269887-01Compound Fr13184
GTR19269796-01Compound Fr12378

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
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090

Popular Products