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136469-91-5 | 3-Pyridinemethanamine, N-[3-(1H-imidazol-1-yl)propyl]-
CAS No: 136469-91-5 Catalog No: AG0011WE MDL No:MFCD04227518
Product Description
Catalog Number:
AG0011WE
Chemical Name:
3-Pyridinemethanamine, N-[3-(1H-imidazol-1-yl)propyl]-
CAS Number:
136469-91-5
Molecular Formula:
C12H16N4
Molecular Weight:
216.2822
MDL Number:
MFCD04227518
IUPAC Name:
3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
InChI:
InChI=1S/C12H16N4/c1-3-12(9-13-4-1)10-14-5-2-7-16-8-6-15-11-16/h1,3-4,6,8-9,11,14H,2,5,7,10H2
InChI Key:
SVVCMJGGHPTQIV-UHFFFAOYSA-N
SMILES:
C(CCn1cncc1)NCc1cccnc1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.288g/mol
Monoisotopic Mass:
216.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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