Home Other Building Blocks 1-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one

1-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one

CAS No.:
80773-02-0
Catalog Number:
AG019QBA
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
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Product Description
Catalog Number:
AG019QBA
Chemical Name:
1-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one
CAS Number:
80773-02-0
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD20440298
IUPAC Name:
1-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
InChI:
InChI=1S/C11H14N2O/c1-9(14)13-8-4-7-12-10-5-2-3-6-11(10)13/h2-3,5-6,12H,4,7-8H2,1H3
InChI Key:
PSYPXVHYTTYORG-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCCNc2c1cccc2
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties