Basic information
- CAS
24168-42-1- Standard SMILES
CC(C#N)c1cccc2ccccc12- InChIKey
VQRBAFPBJMOCCK-UHFFFAOYSA-N- Molecular formula
- C13H11N
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.08914936
Names & identifiers
- Preferred name
- alpha-Methyl-1-naphthaleneacetonitrile
- IUPAC
- 2-naphthalen-1-ylpropanenitrile
- English name
- alpha-methylnaphthalene-1-acetonitrile
- Molecular formula
- C13H11N
- Molecular weight
- 181.23
Names & synonyms
24168-42-1alpha-Methylnaphthalene-1-acetonitrilealpha-Methyl-1-naphthaleneacetonitrileRefChem:1076523246-049-32-(naphthalen-1-yl)propanenitrile2-naphthalen-1-ylpropanenitrile2-(1-naphthyl)propanenitrileEINECS 246-049-32-(1'-naphthyl)propionitrileSCHEMBL6412671SCHEMBL10399086
Show more names
α-Methyl-1-naphthaleneacetonitrile1-Naphthaleneacetonitrile, α-methyl-
DTXSID00946994ZAA16842MFCD11036552SY402114CS-0237767NS00050034EN300-1868396
Database identifiers
- CAS
24168-42-1- PubChem CID
- 91132
- DTXSID
DTXSID00946994- EC Number
- 246-049-3
- Nikkaji
- J287.174B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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