Benzyltrimethylammonium hydroxide

Formula:HO.C10H16N CAS:100-85-6 ChemrytIQ

PropertyValue
Casrn100-85-6
MolNameBenzyltrimethylammonium hydroxide
MolecularFormulaHO.C10H16N
SmilesC[N+](C)(C)Cc1ccccc1.[OH-]
InChIInChI=1S/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H2/q+1;/p-1
InChIKNDKBVBUGCNGSJJ-UHFFFAOYSA-M
CanonicalSyTyLFy79d372a226ef7b4e
TotalMolweight167.251
Molweight150.244
MonoisotopicMass150.128274
CLogP-1.6553
CLogS-0.865
H Acceptors1
TotalSurfaceArea129.68
Relative PSA-0.05876
Druglikeness-2.6575
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsquart. ammonium
Shape Index0.63636
Molecula Flexibility0.51444
Molecular Complexity0.51299
Fragments2
Non HAtoms11
NonCHAtoms1
Electronegative Atoms1
Rotatable Bond2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms5
Symmetricatoms4
Amines1
AlkylAmines1
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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100-47-0highnonehighC7H5N103.124-6.0498 ChemrytIQ
100010-00-2nonenonenoneC20H23NO5357.405-3.7157 ChemrytIQ
100-71-0nonenonenoneC7H9N107.155-2.2725 ChemrytIQ
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1000-50-6nonenonehighC6H15ClSi150.724-84.768 ChemrytIQ
100-21-0highnonehighC8H6O4166.132-1.8442 ChemrytIQ
10000-42-7highhighlowC20H18N4O3362.388-5.7793 ChemrytIQ
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242 ChemrytIQ
10001-08-8nonenonehighC11H22N2O198.309-3.1037 ChemrytIQ
100-56-1highlowlowC6H5ClHg313.149-2.3575 ChemrytIQ
100004-94-2nonenonenoneC13H11NO2213.235-1.5864 ChemrytIQ
100009-88-9nonenonenoneC18H45N7359.604-4.1108 ChemrytIQ
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248 ChemrytIQ
1000-57-3highnonelowC6H16SSn238.969-7.4261 ChemrytIQ
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6 ChemrytIQ
100020-34-6nonenonenoneC13H18S2238.418-0.23079 ChemrytIQ
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952 ChemrytIQ
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137 ChemrytIQ
100-12-9nonenonenoneC8H9NO2151.164-7.7443 ChemrytIQ
100020-95-9highnonelowC12H17OCl212.719-11.962 ChemrytIQ
100-06-1nonenonenoneC9H10O2150.176-1.6836 ChemrytIQ
100-22-1highhighnoneC10H16N2164.2510.40939 ChemrytIQ
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
1000269-66-8nonenonenoneC12H20N4220.3190.5423 ChemrytIQ
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937 ChemrytIQ
100-27-6lownonenoneC8H9NO3167.163-9.2735 ChemrytIQ
1000339-33-2nonenonenoneC10H11NClF199.6550.76 ChemrytIQ
1000-84-6nonenonehighC4H9NO87.1215-6.3779 ChemrytIQ
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647 ChemrytIQ
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052 ChemrytIQ
100019-40-7nonenonenoneC14H15NO3245.277-1.947 ChemrytIQ
100-55-0nonenonenoneC6H7NO109.128-1.9045 ChemrytIQ
100-81-2nonenonenoneC8H11N121.182-2.1005 ChemrytIQ
100-29-8nonenonenoneC8H9NO3167.163-8.928 ChemrytIQ
100-46-9nonenonenoneC7H9N107.155-2.0712 ChemrytIQ
100012-67-7highhighhighC12H12O5236.222-19.846 ChemrytIQ
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861 ChemrytIQ
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981 ChemrytIQ
1000-05-1nonenonehighC8H26O3Si4282.635-83.299 ChemrytIQ
1000269-67-9nonenonenoneC13H22N4234.3460.99367 ChemrytIQ
100-70-9nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75 ChemrytIQ
10-00-4nonenonenoneC28H34O8498.57-4.8409 ChemrytIQ
100020-94-8highnonelowC12H17OCl212.719-11.962 ChemrytIQ
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858 ChemrytIQ
100-50-5nonenonehighC7H10O110.155-9.6048 ChemrytIQ
100-76-5nonenonehighC7H13N111.1873.5517 ChemrytIQ
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322 ChemrytIQ
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187 ChemrytIQ
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638 ChemrytIQ
10000-51-8nonenonenoneC14H15NO3245.2770.10503 ChemrytIQ
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216 ChemrytIQ
100004-93-1nonehighnoneC16H11NO2249.268-1.5746 ChemrytIQ
100-62-9lownonenoneC7H7N105.14-1.1924 ChemrytIQ
10-13-2009nonenonenoneC15H14O5274.271-1.4702 ChemrytIQ
100005-79-6nonenonenoneC12H9NS199.276-2.6106 ChemrytIQ