N-Butylbenzene
PubChem CID: 7705
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| Compound Synonyms | Butylbenzene, N-BUTYLBENZENE, 104-51-8, 1-Phenylbutane, Benzene, butyl-, 1-Butylbenzene, n-butyl benzene, butyl-benzene, HSDB 7211, NSC 8465, EINECS 203-209-7, BRN 1903395, S8XZ2901RZ, DTXSID6022472, CHEBI:44194, AI3-00119, NSC-8465, MFCD00009463, N-BUTYLBENZENE [MI], N-BUTYLBENZENE [HSDB], CHEMBL195441, DTXCID902472, 4-05-00-01033 (Beilstein Handbook Reference), Butane, phenyl-, Butylbenzene, analytical standard, butyl benzene, N4B, UNII-S8XZ2901RZ, Butylbenzenes, 1Butylbenzene, 1Phenylbutane, 4n-butylbenzene, benzene, butyl, normalbutylbenzene, but-1-ylbenzene, 3-n-butylbenzene, Benzene, butyl-, Butylbenzene, 1-Butylbenzene, 1-Phenylbutane, NSC 8465, n-Butylbenzene, normal butylbenzene, Normal-butylbenzene, Benzene, n-butyl-, Butylbenzene, >=99%, WLN: 4R, BIDD:ER0273, NSC8465, 186l, Tox21_300511, BDBM50167957, STL483074, AKOS000121610, FB54927, NCGC00248079-01, NCGC00254529-01, CAS-104-51-8, LS-13807, B0713, NS00001482, S0667, EN300-21128, C18150, H11923, Q16081199, F0001-0089, Z104492496, 203-209-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCCcccccc6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 70.1 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | butylbenzene |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.4 |
| Superclass | Benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | OCKPCBLVNKHBMX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-Butylbenzene, 1-Phenylbutane, N-BUTYLBENZENE, benzene, butyl, buthyl benzene, butylbenzene |
| Esol Class | Soluble |
| Compound Name | N-Butylbenzene |
| Kingdom | Organic compounds |
| Exact Mass | 134.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 134.22 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3 |
| Smiles | CCCCC1=CC=CC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Benzene and substituted derivatives |
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