ANP.gifJMOL view

Name: 2-amino-4-methyl-5-nitropyridine
Common Names: ANP
IUPAC Name: 4-methyl-5-nitro-pyridin-2-amine

CAS RN: 21901-40-6
SMILES: [O-][N+](=O)c1cnc(N)cc1C
InChI=1/C6H7N3O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3,(H2,7,8)
InChIKey: GRBBNZYMXKTQAI-UHFFFAOYAA

ChemSpider Permalink:
http://www.chemspider.com/Chemical-Structure.212571.html

Molecular Formula: C6H7N3O2
Molecular Weight (average): 153.1387
Molecular Weight (monisotopic): 153.0538
Melting point: 223-225°C
LogP (ACD v5.0 logD calculated): 1.64 +/-0.29
pKa (ACD v5.0 pKa calculated):
Proton affinity [1]:
Sodium affinity [2]:
Vapor pressure (ACD calculated): 3.99E-05 mmHg at 25°C

Spectral Information:
IR spectrum ATR 1 cm-1 resolution
UV spectrum in CH3CN 1 nm resolution in acetonitrile
UV spectrum 1 nm resolution in acetonitrile
UV spectrum in THF 1 nm resolution in tetrahydrofuran
SS-UV spectrum 1 nm resolution solid state diffuse reflectance measurement
337nm MALDI-TOF spectrum Positive ion spectrum from Bruker Reflex III
355nm MALDI-TOF spectrum Positive ion spectrum from Bruker Ultraflex TOF/TOF
355nm MALDI-TOF spectrum Negative ion spectrum from Bruker Ultraflex TOF/TOF

Sample Info:
Aldrich PN: 290092 lot #: 02022CA

Notes:

References:
[1] Mirza, S.P.; Raju, N.P.; Vairamani, M., Estimation of the Proton Affinity Values of Fifteen MALDI Matrices under Electrospray Ionization Conditions using the Kinetic Method, J. Amer. Soc. Mass Spectrom., 2004, 15, 431-5, DOI: 10.1016/j.jasms.2003.12.001
[2] Zhang, J., Knochenmuss, R., Stevenson, E., Zenobi, R., The gas-phase sodium basicities of common matrix-assisted laser desorption/ionization matrices, International Journal of Mass Spectrometry, 2002, 213, 237–250, DOI: S1387-3806(01)00542-5