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272442-27-0 | 5-Benzyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CAS No: 272442-27-0 Catalog No: AG003MF2 MDL No:MFCD02320628
Product Description
Catalog Number:
AG003MF2
Chemical Name:
5-Benzyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CAS Number:
272442-27-0
Molecular Formula:
C14H16N2
Molecular Weight:
212.2902
MDL Number:
MFCD02320628
IUPAC Name:
5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
InChI:
InChI=1S/C14H16N2/c1-2-4-12(5-3-1)10-16-9-7-14-13(11-16)6-8-15-14/h1-6,8,15H,7,9-11H2
InChI Key:
RRLDTKNWNRBUBK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCc2c(C1)cc[nH]2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.296g/mol
Monoisotopic Mass:
212.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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