Home Nitriles 1H-Pyrazole-1-butanenitrile,3-amino-(9CI)

1H-Pyrazole-1-butanenitrile,3-amino-(9CI)

CAS No.:
169266-68-6
Catalog Number:
AG00B2HW
Molecular Formula:
C7H10N4
Molecular Weight:
150.1811
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Product Description
Catalog Number:
AG00B2HW
Chemical Name:
1H-Pyrazole-1-butanenitrile,3-amino-(9CI)
CAS Number:
169266-68-6
Molecular Formula:
C7H10N4
Molecular Weight:
150.1811
MDL Number:
MFCD12149383
IUPAC Name:
4-(3-aminopyrazol-1-yl)butanenitrile
InChI:
InChI=1S/C7H10N4/c8-4-1-2-5-11-6-3-7(9)10-11/h3,6H,1-2,5H2,(H2,9,10)
InChI Key:
SNKDETKBCPNBLO-UHFFFAOYSA-N
SMILES:
Nc1ccn(n1)CCCC#N
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.091g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.185g/mol
Monoisotopic Mass:
150.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties