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86578-21-4 | Formic acid, compd. with N,N-dimethyl-1,3-propanediamine (1:1)
CAS No: 86578-21-4 Catalog No: AG004PKG MDL No:
Product Description
Catalog Number:
AG004PKG
Chemical Name:
Formic acid, compd. with N,N-dimethyl-1,3-propanediamine (1:1)
CAS Number:
86578-21-4
Molecular Formula:
C6H16N2O2
Molecular Weight:
148.2034
IUPAC Name:
N',N'-dimethylpropane-1,3-diamine;formic acid
InChI:
InChI=1S/C5H14N2.CH2O2/c1-7(2)5-3-4-6;2-1-3/h3-6H2,1-2H3;1H,(H,2,3)
InChI Key:
XBAWJBONODPDGA-UHFFFAOYSA-N
SMILES:
NCCCN(C)C.OC=O
Properties
Complexity:
45.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.121g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.206g/mol
Monoisotopic Mass:
148.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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