Mrv1652303202018592D          

  2  1  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D4151

> <DATABASE_NAME>
t3db

> <SMILES>
CN

> <INCHI_IDENTIFIER>
InChI=1S/CH5N/c1-2/h2H2,1H3

> <INCHI_KEY>
BAVYZALUXZFZLV-UHFFFAOYSA-N

> <FORMULA>
CH5N

> <MOLECULAR_WEIGHT>
31.0571

> <EXACT_MASS>
31.042199165

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
3.8562949268232196

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methanamine

> <ALOGPS_LOGP>
-1.06

> <JCHEM_LOGP>
-0.6254588653333333

> <ALOGPS_LOGS>
1.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.08103885499396

> <JCHEM_POLAR_SURFACE_AREA>
26.02

> <JCHEM_REFRACTIVITY>
9.918800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.67e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methylamine

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D4151

> <NAME>
Methylamine

> <CAS>
74-89-5

> <SYNONYMS>
Aminomethane; Anhydrous methylamine; Carbinamine; Imizin; Mercurialin; Methanamine; Methyl group; Methyl of gamma-N-methylasparagine; Methylamine anhydrous; Methylamine aqueous solution; Methylamine solution; Methylamine solutions; Methylaminen; Metilamine; Metyloamina; MMA; Monomethylamine; N-Methylamine; NMA; NME

> <TYPES>
Organic Compound; Food Toxin; Metabolite; Uremic Toxin; Household Toxin; Industrial/Workplace Toxin; Natural Compound

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