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681811-29-0

681811-29-0 | 1H-Imidazo[2,1-b][1,3,5]benzotriazepine,5-ethyl-2,3,5,6-tetrahydro-(9CI)

CAS No: 681811-29-0 Catalog No: AG00FROF MDL No:

Product Description

Catalog Number:
AG00FROF
Chemical Name:
1H-Imidazo[2,1-b][1,3,5]benzotriazepine,5-ethyl-2,3,5,6-tetrahydro-(9CI)
CAS Number:
681811-29-0
IUPAC Name:
5-ethyl-3,5,6,11-tetrahydro-2H-imidazo[1,2-c][1,3,5]benzotriazepine
InChI:
InChI=1S/C12H16N4/c1-2-11-14-9-5-3-4-6-10(9)15-12-13-7-8-16(11)12/h3-6,11,14H,2,7-8H2,1H3,(H,13,15)
InChI Key:
ACUDNXQIDZIIQZ-UHFFFAOYSA-N

Properties

Complexity:
289  
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:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.288g/mol
Monoisotopic Mass:
216.137g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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