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Pyridin-2-yl-urea

CAT: 0572-TRC-P998933-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P998933-100MGSize:100 mg
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CAS Number
13114-64-2
Synonyms
Urea, N-2-pyridinyl- (ACI); N-2-Pyridinylurea (ACI); Urea, (2-pyridyl)- (6CI, 7CI, 8CI); Urea, 2-pyridinyl- (9CI); (Pyridin-2-yl)urea; 1-(2-Pyridyl)urea; 2-Pyridylcarbamide
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
NC(=O)Nc1ccccn1
Molecular Formula
C6 H7 N3 O
Molecular Weight
137.139
InChI
InChI=1S/C6H7N3O/c7-6(10)9-5-3-1-2-4-8-5/h1-4H,(H3,7,8,9,10)
Additionnal Information
IUPAC name: pyridin-2-ylurea
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Pyridin-2-ylcarbamimidic acid
CAS Number13114-64-2
PubChem CID202697
IUPAC Namepyridin-2-ylurea
Molecular FormulaC6H7N3O
Molecular Weight137.14
XLogP0
Topological Polar Surface Area68
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
C1=CC=NC(=C1)NC(=O)N
InChI
InChI=1S/C6H7N3O/c7-6(10)9-5-3-1-2-4-8-5/h1-4H,(H3,7,8,9,10)
InChIKey
MQDVUDAZJMZQMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Pyridin-2-ylcarbamimidic acid
CAS: 13114-64-2
CID: 202697
Formula: C6H7N3O
MW: 137.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight137.14
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass137.058911855
Monoisotopic Mass137.058911855
Topological Polar Surface Area68 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
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