Name: Name:3,9-diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene
Brand: Angene
SKU: AG019VBQ
Rating: 90 (10 reviews)

3,9-diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene

CAS No.:

24919-43-5

Catalog Number:

AG019VBQ

Molecular Formula:

C12H16N2

Molecular Weight:

188.2688

Catalog Number:

AG019VBQ

Chemical Name:

3,9-diazatricyclo[8.4.0.0,3,7]tetradeca-1(14),10,12-triene

CAS Number:

24919-43-5

Molecular Formula:

C12H16N2

Molecular Weight:

188.2688

MDL Number:

MFCD00721065

IUPAC Name:

6,6a,7,8,9,11-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine

InChI:

InChI=1S/C12H16N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-2,4,6,11,13H,3,5,7-9H2

InChI Key:

QZLFCLRNSOXWFA-UHFFFAOYSA-N

SMILES:

C1CN2C(C1)CNc1c(C2)cccc1

NSC Number:

678488

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

188.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

188.274g/mol

Monoisotopic Mass:

188.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

15.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1