Name: Name:1,4,8-triazatricyclo[7.2.1.0,2,7]dodeca-2,4,6-triene dihydrochloride
Brand: Angene
SKU: AG01EHYR
Rating: 90 (10 reviews)

1,4,8-triazatricyclo[7.2.1.0,2,7]dodeca-2,4,6-triene dihydrochloride

CAS No.:

2137655-27-5

Catalog Number:

AG01EHYR

Molecular Formula:

C9H13Cl2N3

Molecular Weight:

234.1256

Catalog Number:

AG01EHYR

Chemical Name:

1,4,8-triazatricyclo[7.2.1.0,2,7]dodeca-2,4,6-triene dihydrochloride

CAS Number:

2137655-27-5

Molecular Formula:

C9H13Cl2N3

Molecular Weight:

234.1256

MDL Number:

MFCD31558782

IUPAC Name:

1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene;dihydrochloride

InChI:

InChI=1S/C9H11N3.2ClH/c1-3-10-5-9-8(1)11-7-2-4-12(9)6-7;;/h1,3,5,7,11H,2,4,6H2;2*1H

InChI Key:

XSTYARQCSLIMJX-UHFFFAOYSA-N

SMILES:

c1ncc2c(c1)NC1CN2CC1.Cl.Cl

Complexity:

183

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.124g/mol

Monoisotopic Mass:

233.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: