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199984-52-6 | 1,3-Propanediamine, 2-methyl-2-(2-pyridinyl)-
CAS No: 199984-52-6 Catalog No: AG002CGX MDL No:
Product Description
Catalog Number:
AG002CGX
Chemical Name:
1,3-Propanediamine, 2-methyl-2-(2-pyridinyl)-
CAS Number:
199984-52-6
Molecular Formula:
C9H15N3
Molecular Weight:
165.2355
IUPAC Name:
2-methyl-2-pyridin-2-ylpropane-1,3-diamine
InChI:
InChI=1S/C9H15N3/c1-9(6-10,7-11)8-4-2-3-5-12-8/h2-5H,6-7,10-11H2,1H3
InChI Key:
IUNIALVRAIKHEO-UHFFFAOYSA-N
SMILES:
NCC(c1ccccn1)(CN)C
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.127g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.24g/mol
Monoisotopic Mass:
165.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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