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1249241-34-6

1249241-34-6 | 3-(1H-imidazol-1-yl)-1,2,3,4-tetrahydroquinoline

CAS No: 1249241-34-6 Catalog No: AG019S5U MDL No:MFCD14632033

Product Description

Catalog Number:
AG019S5U
Chemical Name:
3-(1H-imidazol-1-yl)-1,2,3,4-tetrahydroquinoline
CAS Number:
1249241-34-6
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD14632033
IUPAC Name:
3-imidazol-1-yl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C12H13N3/c1-2-4-12-10(3-1)7-11(8-14-12)15-6-5-13-9-15/h1-6,9,11,14H,7-8H2
InChI Key:
VWTHZNXJNMCGAI-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)CC(CN2)n1cncc1

Properties

Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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