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benzyl bromide-α,α-d 2 vs pancuronium bromide

Input interpretation

benzyl bromide-α, α-d 2 | pancuronium bromide
benzyl bromide-α, α-d 2 | pancuronium bromide

Chemical names and formulas

 | benzyl bromide-α, α-d 2 | pancuronium bromide formula | C_6H_5CD_2Br | C_35H_60Br_2N_2O_4 Hill formula | C_7H_5D_2Br | C_35H_60Br_2N_2O_4 name | benzyl bromide-α, α-d 2 | pancuronium bromide IUPAC name | (bromo-dideuteriomethyl)benzene | [(2S, 3S, 5S, 8R, 9S, 10S, 13S, 14S, 16S, 17S)-17-acetyloxy-10, 13-dimethyl-2, 16-bis(1-methyl-3, 4, 5, 6-tetrahydro-2H-pyridin-1-yl)-2, 3, 4, 5, 6, 7, 8, 9, 11, 12, 14, 15, 16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide alternate names | (bromo-dideuterio-methyl)benzene | (bromo-dideuteriomethyl)benzene | α-bromotoluene-α, α-d2 | mioblock | pavulon mass fractions | Br (bromine) 0.462% | C (carbon) 0.486% | H (hydrogen) 0.0524% | Br (bromine) 21.8% | C (carbon) 57.4% | H (hydrogen) 8.25% | N (nitrogen) 3.82% | O (oxygen) 8.73%
| benzyl bromide-α, α-d 2 | pancuronium bromide formula | C_6H_5CD_2Br | C_35H_60Br_2N_2O_4 Hill formula | C_7H_5D_2Br | C_35H_60Br_2N_2O_4 name | benzyl bromide-α, α-d 2 | pancuronium bromide IUPAC name | (bromo-dideuteriomethyl)benzene | [(2S, 3S, 5S, 8R, 9S, 10S, 13S, 14S, 16S, 17S)-17-acetyloxy-10, 13-dimethyl-2, 16-bis(1-methyl-3, 4, 5, 6-tetrahydro-2H-pyridin-1-yl)-2, 3, 4, 5, 6, 7, 8, 9, 11, 12, 14, 15, 16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide alternate names | (bromo-dideuterio-methyl)benzene | (bromo-dideuteriomethyl)benzene | α-bromotoluene-α, α-d2 | mioblock | pavulon mass fractions | Br (bromine) 0.462% | C (carbon) 0.486% | H (hydrogen) 0.0524% | Br (bromine) 21.8% | C (carbon) 57.4% | H (hydrogen) 8.25% | N (nitrogen) 3.82% | O (oxygen) 8.73%

Structure diagrams

  | benzyl bromide-α, α-d 2 | pancuronium bromide vertex count | 8 | 43 edge count | 8 | 46 Schultz index | 280 | 22471 Wiener index | 64 | 5163 Hosoya index | 44 | (data not available) Balaban index | 2.125 | 1.299
| benzyl bromide-α, α-d 2 | pancuronium bromide vertex count | 8 | 43 edge count | 8 | 46 Schultz index | 280 | 22471 Wiener index | 64 | 5163 Hosoya index | 44 | (data not available) Balaban index | 2.125 | 1.299

3D structure

3D structure
3D structure

Basic properties

 | benzyl bromide-α, α-d 2 | pancuronium bromide molar mass | 173.05 g/mol | 732.7 g/mol phase | liquid (at STP) | solid (at STP) melting point | -2 °C | 215 °C boiling point | 198.5 °C |  density | 1.455 g/cm^3 |
| benzyl bromide-α, α-d 2 | pancuronium bromide molar mass | 173.05 g/mol | 732.7 g/mol phase | liquid (at STP) | solid (at STP) melting point | -2 °C | 215 °C boiling point | 198.5 °C | density | 1.455 g/cm^3 |

Units

Hydrophobicity and permeability properties

 | pancuronium bromide predicted LogP hydrophobicity | 0.77 predicted LogS | -7.83
| pancuronium bromide predicted LogP hydrophobicity | 0.77 predicted LogS | -7.83

Liquid properties

 | benzyl bromide-α, α-d 2 density | 1.455 g/cm^3 refractive index | 1.575
| benzyl bromide-α, α-d 2 density | 1.455 g/cm^3 refractive index | 1.575

Units

Non-standard atom properties

 | non-standard isotope tally benzyl bromide-α, α-d 2 | H-2 | 2
| non-standard isotope tally benzyl bromide-α, α-d 2 | H-2 | 2

Chemical identifiers

 | benzyl bromide-α, α-d 2 | pancuronium bromide CAS number | 51271-29-5 | 15500-66-0 Beilstein number | | 4121757 PubChem CID number | 12217700 | 27350 PubChem SID number | 24872376 | 169954 SMILES identifier | C1=CC=C(C=C1)CBr | CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-]
| benzyl bromide-α, α-d 2 | pancuronium bromide CAS number | 51271-29-5 | 15500-66-0 Beilstein number | | 4121757 PubChem CID number | 12217700 | 27350 PubChem SID number | 24872376 | 169954 SMILES identifier | C1=CC=C(C=C1)CBr | CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-]

Safety properties

 | benzyl bromide-α, α-d 2 flash point | 86.67 °C
| benzyl bromide-α, α-d 2 flash point | 86.67 °C