Home Nitriles 2-[(prop-2-yn-1-yl)amino]acetonitrile

2-[(prop-2-yn-1-yl)amino]acetonitrile

CAS No.:
56096-28-7
Catalog Number:
AG01B83A
Molecular Formula:
C5H6N2
Molecular Weight:
94.1145
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Product Description
Catalog Number:
AG01B83A
Chemical Name:
2-[(prop-2-yn-1-yl)amino]acetonitrile
CAS Number:
56096-28-7
Molecular Formula:
C5H6N2
Molecular Weight:
94.1145
MDL Number:
MFCD00137987
IUPAC Name:
2-(prop-2-ynylamino)acetonitrile
InChI:
InChI=1S/C5H6N2/c1-2-4-7-5-3-6/h1,7H,4-5H2
InChI Key:
VKMQENXKRDPRHY-UHFFFAOYSA-N
SMILES:
C#CCNCC#N
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.053g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
94.117g/mol
Monoisotopic Mass:
94.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties