Home Other Building Blocks 4-(4H-1,2,4-triazol-4-yl)butan-1-amine hydrochloride

4-(4H-1,2,4-triazol-4-yl)butan-1-amine hydrochloride

CAS No.:
1354950-97-2
Catalog Number:
AG019SBR
Molecular Formula:
C6H13ClN4
Molecular Weight:
176.6472
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Product Description
Catalog Number:
AG019SBR
Chemical Name:
4-(4H-1,2,4-triazol-4-yl)butan-1-amine hydrochloride
CAS Number:
1354950-97-2
Molecular Formula:
C6H13ClN4
Molecular Weight:
176.6472
MDL Number:
MFCD20502023
IUPAC Name:
4-(1,2,4-triazol-4-yl)butan-1-amine;hydrochloride
InChI:
InChI=1S/C6H12N4.ClH/c7-3-1-2-4-10-5-8-9-6-10;/h5-6H,1-4,7H2;1H
InChI Key:
VXTUJZAPGPPDBO-UHFFFAOYSA-N
SMILES:
NCCCCn1cnnc1.Cl
Properties
Complexity:
79.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.083g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.648g/mol
Monoisotopic Mass:
176.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties