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5-H-Amiloride

CAT: 0572-TRC-A578690-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A578690-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1203-87-8
Synonyms
2-Pyrazinecarboxamide, 3-amino-N-(aminoiminomethyl)-6-chloro-; Pyrazinecarboxamide, 3-amino-N-(aminoiminomethyl)-6-chloro- (9CI); Pyrazinecarboxamide, N-amidino-3-amino-6-chloro- (7CI,8CI); 3-Amino-N-(aminoiminomethyl)-6-chloro-2-pyrazinecarboxamide; 5-Deaminoamiloride; 5-H-Amiloride; N-Amidino-3-amino-6-chloropyrazinecarboxamide
Hazard Statement
Not a hazardous substance according to GHS; UN number: UN2811; Packing Group: II
Smiles
NC(=NC(=O)c1nc(Cl)cnc1N)N
Molecular Formula
C6 H7 Cl N6 O
Molecular Weight
214.61
InChI
InChI=1S/C6H7ClN6O/c7-2-1-11-4(8)3(12-2)5(14)13-6(9)10/h1H,(H2,8,11)(H4,9,10,13,14)
Additionnal Information
IUPAC name: 3-amino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Amino-N-(aminoiminomethyl)-6-chloro-2-pyrazinecarboxamide

NH2 group at position 5 of pyrazine ring replaced by H

CAS Number1203-87-8
PubChem CID159363
IUPAC Name3-amino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
Molecular FormulaC6H7ClN6O
Molecular Weight214.61
XLogP-0.4
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity253
SMILES
C1=C(N=C(C(=N1)N)C(=O)N=C(N)N)Cl
InChI
InChI=1S/C6H7ClN6O/c7-2-1-11-4(8)3(12-2)5(14)13-6(9)10/h1H,(H2,8,11)(H4,9,10,13,14)
InChIKey
PTIMHPOSZRUADS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-N-(aminoiminomethyl)-6-chloro-2-pyrazinecarboxamide
CAS: 1203-87-8
CID: 159363
Formula: C6H7ClN6O
MW: 214.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.61
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass214.0369866
Monoisotopic Mass214.0369866
Topological Polar Surface Area133 Ų
Heavy Atom Count14
Formal Charge0
Complexity253
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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