Butane
PubChem CID: 7843
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| Compound Synonyms | BUTANE, n-Butane, 106-97-8, Diethyl, Methylethylmethane, butan, Butanen, Butani, Butyl hydride, Butane, pure, HC 600, A 21 (lowing agent), R 600, CCRIS 2279, HSDB 944, n-Butan, UNII-6LV4FOR43R, EINECS 203-448-7, 6LV4FOR43R, E943a, Butane [NF], n-C4H10, INS NO.943, CHEBI:37808, INS-943, butane phase II, DTXSID7024665, E-943, E 943a, E-943a, EC 203-448-7, Butane (NF), BUTANE (II), BUTANE [II], BUTANE (MART.), BUTANE [MART.], R-600, Butanen [Dutch], Butani [Italian], BUTANE (D10), BUTANE (1-D1), BUTANE (2-D1), normal-Butane, UN1011, 1,2-dimethyethane, 1,2-dimethylethane, 1,2-dimethyl-ethane, Butane, 99%, Freon 600, BUTANE [HSDB], BUTANE [FCC], BUTANE [WHO-DD], BUTANE [MI], n-Butane, Methylethylmethane, Hydrocarbon propellant A-17, CHEMBL134702, DTXCID404665, H-C4H9, DTXSID00179629, DTXSID50178046, BCP32076, Butane 2000 microg/mL in Methanol, AKOS015917446, AKOS032949915, UN 1011, B0677, NS00008355, C21390, D03186, Q134192, Butane, fuel for Micro Torch, contains no CFC gases, InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H, 06005800-A997-4214-BF1C-5063E9E46167, 203-448-7 |
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| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 4.0 |
| Description | Aerosol propellant Butane is a gas with the formula C4H10 that is an alkane with four carbon atoms. The term may refer to any of two structural isomers, or to a mixture of them: in the IUPAC nomenclature, however, butane refers only to the unbranched n-butane isomer, the other one being called "methylpropane" or isobutane. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | butane |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 2.9 |
| Superclass | Benzenoids |
| Subclass | Benzamides |
| Molecular Formula | C4H10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IJDNQMDRQITEOD-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| State | gas |
| Synonyms | E943a, N-Butane |
| Substituent Name | N-phenylbenzamide, N-arylamide, Nitrotoluene, Diaminotoluene, Benzoic acid or derivatives, Aminotoluene, Phenylmethylamine, Benzylamine, Benzoyl, Aralkylamine, N-alkylpiperazine, N-methylpiperazine, Toluene, Dihydropyridine, Aniline, Pyrimidine, Piperazine, Hydropyridine, 1,4-diazinane, Heteroaromatic compound, Tertiary aliphatic amine, Tertiary amine, Secondary carboxylic acid amide, Carboxamide group, Azacycle, Aminoxide, Organoheterocyclic compound, Secondary amine, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Carbonyl group, Amine, Organic anion, Aromatic heteromonocyclic compound |
| Compound Name | Butane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 58.0783 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 58.0783 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 58.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9550688 |
| Inchi | InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3 |
| Smiles | CCCC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abrus Pulchellus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Tuberosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Fragaria Ananassa (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Stauntonia Hexaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all