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70591-89-8 | 2-Butanone, 3,3-dimethyl-1-(methylamino)-
CAS No: 70591-89-8 Catalog No: AG00390I MDL No:MFCD00823459
Product Description
Catalog Number:
AG00390I
Chemical Name:
2-Butanone, 3,3-dimethyl-1-(methylamino)-
CAS Number:
70591-89-8
Molecular Formula:
C7H15NO
Molecular Weight:
129.2001
MDL Number:
MFCD00823459
IUPAC Name:
3,3-dimethyl-1-(methylamino)butan-2-one
InChI:
InChI=1S/C7H15NO/c1-7(2,3)6(9)5-8-4/h8H,5H2,1-4H3
InChI Key:
LNRRSAKKUZXZDX-UHFFFAOYSA-N
SMILES:
CNCC(=O)C(C)(C)C
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.115g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.203g/mol
Monoisotopic Mass:
129.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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