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139008-07-4 | 1-Propanaminium, N-methyl-N-methylene-
CAS No: 139008-07-4 Catalog No: AG0019ZS MDL No:
Product Description
Catalog Number:
AG0019ZS
Chemical Name:
1-Propanaminium, N-methyl-N-methylene-
CAS Number:
139008-07-4
Molecular Formula:
C5H12N+
Molecular Weight:
86.1555
IUPAC Name:
methyl-methylidene-propylazanium
InChI:
InChI=1S/C5H12N/c1-4-5-6(2)3/h2,4-5H2,1,3H3/q+1
InChI Key:
IHHKWNYGRWLTQV-UHFFFAOYSA-N
SMILES:
CCC[N+](=C)C
Properties
Complexity:
47.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
86.097g/mol
Formal Charge:
1
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
86.158g/mol
Monoisotopic Mass:
86.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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