Basic information
- CAS
74381-61-6- Standard SMILES
Oc1ccc2ccc3[nH]cnc3c2c1- InChIKey
RPDZLMLGUVJIQG-UHFFFAOYSA-N- Molecular formula
- C11H8N2O
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.06366288
Names & identifiers
- Preferred name
- Benzene, (1-methylethyl)(2-phenylethyl)-
- IUPAC
- 3H-benzo[e]benzimidazol-8-ol
- English name
- phenethylcumene
- Molecular formula
- C17H20
- Molecular weight
- 224.3407
Names & synonyms
Benzene, (1-methylethyl)(2-phenylethyl)-RefChem:56207974381-61-6Naphth(1,2-d)imidazol-8-ol3h-naphtho[1,2-d]imidazol-8-ol1H-Naphth[1,2-d]imidazol-8-olMLS000756326NSC-1639203H-benzo[e]benzimidazol-8-olEINECS 277-845-9NSC1639201H-NAPHTHO[1,2-D]IMIDAZOL-8-OL
Show more names
phenethylcumene1-METHYLETHYL(2-PHENYLETHYL)-BENZENEBenzene,(1-methylethyl)(2-phenylethyl)-
U44DV49HAECHEMBL1542508DTXSID80225375RPDZLMLGUVJIQG-UHFFFAOYSA-NNSC 163920NCGC00246755-01SMR000528682NS00037617
Database identifiers
- CAS
74381-61-6、77851-17-3- PubChem CID
- 98760
- DTXSID
DTXSID80225375- ChEMBL
CHEMBL1542508- UNII
- U44DV49HAE
- EC Number
- 277-845-9
- Nikkaji
- J318.964C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- EPA Substance Registry System
- Benzene, (1-methylethyl)(2-phenylethyl)- (77851-17-3)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzene, (1-methylethyl)(2-phenylethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Suppliers2 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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