Home Nitriles 3-[(pentan-3-yl)amino]propanenitrile

3-[(pentan-3-yl)amino]propanenitrile

CAS No.:
55619-08-4
Catalog Number:
AG01AAT1
Molecular Formula:
C8H16N2
Molecular Weight:
140.2260
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Product Description
Catalog Number:
AG01AAT1
Chemical Name:
3-[(pentan-3-yl)amino]propanenitrile
CAS Number:
55619-08-4
Molecular Formula:
C8H16N2
Molecular Weight:
140.2260
MDL Number:
MFCD11166685
IUPAC Name:
3-(pentan-3-ylamino)propanenitrile
InChI:
InChI=1S/C8H16N2/c1-3-8(4-2)10-7-5-6-9/h8,10H,3-5,7H2,1-2H3
InChI Key:
MWQQQTMDMMVPQA-UHFFFAOYSA-N
SMILES:
CCC(NCCC#N)CC
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.131g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.23g/mol
Monoisotopic Mass:
140.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties