Home Nitriles Acetonitrile, 2-[(1-methylethyl)amino]-

Acetonitrile, 2-[(1-methylethyl)amino]-

CAS No.:
16728-80-6
Catalog Number:
AG001X9I
Molecular Formula:
C5H10N2
Molecular Weight:
98.1463
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Product Description
Catalog Number:
AG001X9I
Chemical Name:
Acetonitrile, 2-[(1-methylethyl)amino]-
CAS Number:
16728-80-6
Molecular Formula:
C5H10N2
Molecular Weight:
98.1463
MDL Number:
MFCD01763829
IUPAC Name:
2-(propan-2-ylamino)acetonitrile
InChI:
InChI=1S/C5H10N2/c1-5(2)7-4-3-6/h5,7H,4H2,1-2H3
InChI Key:
KCMLHEAFFIUPAW-UHFFFAOYSA-N
SMILES:
CC(NCC#N)C
Properties
Complexity:
77.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.084g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
98.149g/mol
Monoisotopic Mass:
98.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties