Name: Name:1-(3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one
Brand: Angene
SKU: AG019SCB
Rating: 90 (10 reviews)

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

CAS No.:

1354952-84-3

Catalog Number:

AG019SCB

Molecular Formula:

C12H16N2O

Molecular Weight:

204.2682

Catalog Number:

AG019SCB

Chemical Name:

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

CAS Number:

1354952-84-3

Molecular Formula:

C12H16N2O

Molecular Weight:

204.2682

MDL Number:

MFCD20502035

IUPAC Name:

1-(3-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone

InChI:

InChI=1S/C12H16N2O/c1-9-7-13-11-5-3-4-6-12(11)14(8-9)10(2)15/h3-6,9,13H,7-8H2,1-2H3

InChI Key:

WMBHINWRJXGBIE-UHFFFAOYSA-N

SMILES:

CC1CNc2c(N(C1)C(=O)C)cccc2

Complexity:

242

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.273g/mol

Monoisotopic Mass:

204.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8