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868755-58-2 | Benzenemethanamine,N-methyl-3-(1-piperidinylmethyl)-
CAS No: 868755-58-2 Catalog No: AG004LW5 MDL No:MFCD08060527
Product Description
Catalog Number:
AG004LW5
Chemical Name:
Benzenemethanamine,N-methyl-3-(1-piperidinylmethyl)-
CAS Number:
868755-58-2
Molecular Formula:
C14H22N2
Molecular Weight:
218.3379
MDL Number:
MFCD08060527
IUPAC Name:
N-methyl-1-[3-(piperidin-1-ylmethyl)phenyl]methanamine
InChI:
InChI=1S/C14H22N2/c1-15-11-13-6-5-7-14(10-13)12-16-8-3-2-4-9-16/h5-7,10,15H,2-4,8-9,11-12H2,1H3
InChI Key:
FAGCSPRVKJDWBV-UHFFFAOYSA-N
SMILES:
CNCc1cccc(c1)CN1CCCCC1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.344g/mol
Monoisotopic Mass:
218.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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