Home Nitriles Pentanenitrile, 2-propyl-

Pentanenitrile, 2-propyl-

CAS No.:
13310-75-3
Catalog Number:
AG0014A2
Molecular Formula:
C8H15N
Molecular Weight:
125.2114
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Product Description
Catalog Number:
AG0014A2
Chemical Name:
Pentanenitrile, 2-propyl-
CAS Number:
13310-75-3
Molecular Formula:
C8H15N
Molecular Weight:
125.2114
MDL Number:
MFCD01632119
IUPAC Name:
2-propylpentanenitrile
InChI:
InChI=1S/C8H15N/c1-3-5-8(7-9)6-4-2/h8H,3-6H2,1-2H3
InChI Key:
YCBOPMITSGZJDX-UHFFFAOYSA-N
SMILES:
CCCC(C#N)CCC
EC Number:
236-338-2
UNII:
HTD29QGA4I
Properties
Complexity:
92.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.12g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.215g/mol
Monoisotopic Mass:
125.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties