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2-Pyrimidinemethanamine

CAT: 0572-TRC-P997368-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P997368-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
75985-45-4
Synonyms
1-Pyrimidin-2-ylmethanamine; 2-Aminomethylpyrimidine; Pyrimidin-2-ylmethanamine; [(Pyrimidin-2-yl)methyl]amine
Hazard Statement
Causes serious eye irritation.
Smiles
C1=CN=C(CN)N=C1
Molecular Formula
C5H7N3
Molecular Weight
109.13
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Pyrimidinemethanamine

2-Aminomethylpyrimidine is an aralkylamine.

CAS Number75985-45-4
PubChem CID4658047
IUPAC Namepyrimidin-2-ylmethanamine
Molecular FormulaC5H7N3
Molecular Weight109.13
XLogP-0.9
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity58
SMILES
C1=CN=C(N=C1)CN
InChI
InChI=1S/C5H7N3/c6-4-5-7-2-1-3-8-5/h1-3H,4,6H2
InChIKey
ROSKZJGILXBSFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Pyrimidinemethanamine
CAS: 75985-45-4
CID: 4658047
Formula: C5H7N3
MW: 109.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight109.13
XLogP3-0.9
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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