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5-Pyrimidinemethanamine

CAT: 0572-TRC-P997350-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P997350-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25198-95-2
Hazard Statement
Harmful if swallowed.
Smiles
NCc1cncnc1
Molecular Formula
C5 H7 N3
Molecular Weight
109.13
InChI
InChI=1S/C5H7N3/c6-1-5-2-7-4-8-3-5/h2-4H,1,6H2
Additionnal Information
IUPAC name: pyrimidin-5-ylmethanamine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pyrimidin-5-ylmethanamine
CAS Number25198-95-2
PubChem CID18953632
IUPAC Namepyrimidin-5-ylmethanamine
Molecular FormulaC5H7N3
Molecular Weight109.13
XLogP-1.5
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity58
SMILES
C1=C(C=NC=N1)CN
InChI
InChI=1S/C5H7N3/c6-1-5-2-7-4-8-3-5/h2-4H,1,6H2
InChIKey
USRYWZFLGFQQEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrimidin-5-ylmethanamine
CAS: 25198-95-2
CID: 18953632
Formula: C5H7N3
MW: 109.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight109.13
XLogP3-1.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass109.063997236
Monoisotopic Mass109.063997236
Topological Polar Surface Area51.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity58.7
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

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