Home Halogens 4-(4-bromo-1H-pyrazol-1-yl)butan-1-amine

4-(4-bromo-1H-pyrazol-1-yl)butan-1-amine

CAS No.:
1184468-64-1
Catalog Number:
AG01BGI4
Molecular Formula:
C7H12BrN3
Molecular Weight:
218.0943
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Product Description
Catalog Number:
AG01BGI4
Chemical Name:
4-(4-bromo-1H-pyrazol-1-yl)butan-1-amine
CAS Number:
1184468-64-1
Molecular Formula:
C7H12BrN3
Molecular Weight:
218.0943
MDL Number:
MFCD12823024
IUPAC Name:
4-(4-bromopyrazol-1-yl)butan-1-amine
InChI:
InChI=1S/C7H12BrN3/c8-7-5-10-11(6-7)4-2-1-3-9/h5-6H,1-4,9H2
InChI Key:
KUYDUMJRJZQDSS-UHFFFAOYSA-N
SMILES:
NCCCCn1cc(cn1)Br
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.021g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.098g/mol
Monoisotopic Mass:
217.021g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties