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141238-65-5 | Acetonitrile, 2-[(1-methylpropyl)nitrosoamino]-
CAS No: 141238-65-5 Catalog No: AG001G51 MDL No:
Product Description
Catalog Number:
AG001G51
Chemical Name:
Acetonitrile, 2-[(1-methylpropyl)nitrosoamino]-
CAS Number:
141238-65-5
Molecular Formula:
C6H11N3O
Molecular Weight:
141.1710
IUPAC Name:
N-butan-2-yl-N-(cyanomethyl)nitrous amide
InChI:
InChI=1S/C6H11N3O/c1-3-6(2)9(8-10)5-4-7/h6H,3,5H2,1-2H3
InChI Key:
HFGVZGJREYYPSD-UHFFFAOYSA-N
SMILES:
CC(N(N=O)CC#N)CC
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.174g/mol
Monoisotopic Mass:
141.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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