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50331-69-6 | N*1*-Methyl-N*1*-pyridin-3-ylmethyl-ethane-1,2-diamine
CAS No: 50331-69-6 Catalog No: AG01F83G MDL No:
Product Description
Catalog Number:
AG01F83G
Chemical Name:
N*1*-Methyl-N*1*-pyridin-3-ylmethyl-ethane-1,2-diamine
CAS Number:
50331-69-6
Molecular Formula:
C9H15N3
Molecular Weight:
165.2355
IUPAC Name:
N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
InChI:
InChI=1S/C9H15N3/c1-12(6-4-10)8-9-3-2-5-11-7-9/h2-3,5,7H,4,6,8,10H2,1H3
InChI Key:
HIQCGSQOABRTFF-UHFFFAOYSA-N
SMILES:
NCCN(Cc1cccnc1)C
Properties
Complexity:
116
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:
1
Isotope Atom Count:
0
Molecular Weight:
165.24g/mol
Monoisotopic Mass:
165.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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