Name: Name:1H-1,4-Diazepine, hexahydro-1-(5-nitro-2-pyridinyl)-
Brand: Angene
SKU: AG002W7U
Rating: 90 (10 reviews)

1H-1,4-Diazepine, hexahydro-1-(5-nitro-2-pyridinyl)-

CAS No.:

287114-27-6

Catalog Number:

AG002W7U

Molecular Formula:

C10H14N4O2

Molecular Weight:

222.2438

Catalog Number:

AG002W7U

Chemical Name:

1H-1,4-Diazepine, hexahydro-1-(5-nitro-2-pyridinyl)-

CAS Number:

287114-27-6

Molecular Formula:

C10H14N4O2

Molecular Weight:

222.2438

MDL Number:

MFCD01311911

IUPAC Name:

1-(5-nitropyridin-2-yl)-1,4-diazepane

InChI:

InChI=1S/C10H14N4O2/c15-14(16)9-2-3-10(12-8-9)13-6-1-4-11-5-7-13/h2-3,8,11H,1,4-7H2

InChI Key:

HVIKXFXKZFWDTQ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(nc1)N1CCNCCC1

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.112g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.248g/mol

Monoisotopic Mass:

222.112g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8