Home Halogens (4-bromo-1-methyl-1H-1,2,3-triazol-5-yl)methanamine hydrochloride

(4-bromo-1-methyl-1H-1,2,3-triazol-5-yl)methanamine hydrochloride

CAS No.:
2138518-30-4
Catalog Number:
AG01EL2A
Molecular Formula:
C4H8BrClN4
Molecular Weight:
227.4901
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Product Description
Catalog Number:
AG01EL2A
Chemical Name:
(4-bromo-1-methyl-1H-1,2,3-triazol-5-yl)methanamine hydrochloride
CAS Number:
2138518-30-4
Molecular Formula:
C4H8BrClN4
Molecular Weight:
227.4901
MDL Number:
MFCD31559032
IUPAC Name:
(5-bromo-3-methyltriazol-4-yl)methanamine;hydrochloride
InChI:
InChI=1S/C4H7BrN4.ClH/c1-9-3(2-6)4(5)7-8-9;/h2,6H2,1H3;1H
InChI Key:
JEGNLSAYOMBWBE-UHFFFAOYSA-N
SMILES:
NCc1c(Br)nnn1C.Cl
Properties
Complexity:
98.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.962g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.49g/mol
Monoisotopic Mass:
225.962g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties