Home Other Building Blocks (5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride

(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride

CAS No.:
1461713-31-4
Catalog Number:
AG01A6CK
Molecular Formula:
C8H16Cl2N4
Molecular Weight:
239.1454
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Product Description
Catalog Number:
AG01A6CK
Chemical Name:
(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CAS Number:
1461713-31-4
Molecular Formula:
C8H16Cl2N4
Molecular Weight:
239.1454
MDL Number:
MFCD25371788
IUPAC Name:
(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
InChI:
InChI=1S/C8H14N4.2ClH/c1-12-7(5-9)10-11-8(12)6-3-2-4-6;;/h6H,2-5,9H2,1H3;2*1H
InChI Key:
HSBRSDUFUJIPHL-UHFFFAOYSA-N
SMILES:
NCc1nnc(n1C)C1CCC1.Cl.Cl
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
239.144g/mol
Monoisotopic Mass:
238.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties