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122269-09-4 | 2-Heptanone, 7-[(3-aminopropyl)amino]-
CAS No: 122269-09-4 Catalog No: AG001719 MDL No:
Product Description
Catalog Number:
AG001719
Chemical Name:
2-Heptanone, 7-[(3-aminopropyl)amino]-
CAS Number:
122269-09-4
Molecular Formula:
C10H22N2O
Molecular Weight:
186.2945
IUPAC Name:
7-(3-aminopropylamino)heptan-2-one
InChI:
InChI=1S/C10H22N2O/c1-10(13)6-3-2-4-8-12-9-5-7-11/h12H,2-9,11H2,1H3
InChI Key:
IINWDBQBGSUBQT-UHFFFAOYSA-N
SMILES:
NCCCNCCCCCC(=O)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.173g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.299g/mol
Monoisotopic Mass:
186.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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