Mrv1533007131513472D          

  4  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857   -1.6500    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
CHEM001304

> <DATABASE_NAME>
chemdb

> <SMILES>
C.C.C.[Al]

> <INCHI_IDENTIFIER>
InChI=1S/3CH4.Al/h3*1H4;

> <INCHI_KEY>
SERFXIDXLAJMRQ-UHFFFAOYSA-N

> <FORMULA>
C3H12Al

> <MOLECULAR_WEIGHT>
75.111

> <EXACT_MASS>
75.0754389

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
2.5910020514760492

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tris(methane) alumane

> <ALOGPS_LOGP>
-1.39

> <JCHEM_LOGP>
1.0809229439999999

> <ALOGPS_LOGS>
0.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
6.3468

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.48e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tris(methane) alumane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1536

> <NAME>
Trimethylaluminium

> <CAS>
75-24-1

> <SYNONYMS>
(CH3)3Al; Aluminum trimethanide; Aluminum trimethyl; TMA; Trimethylalane; Trimethylalkane; Trimethylaluminum solution

> <TYPES>
Organic Compound; Aluminum Compound; Organometallic; Industrial/Workplace Toxin; Synthetic Compound

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