Basic information
- CAS
4414-79-3- Standard SMILES
N#CCCn1ccc2ccccc21- InChIKey
AQVTZBHZFUIILH-UHFFFAOYSA-N- Molecular formula
- C11H10N2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.08439833
Names & identifiers
- Preferred name
- 1H-Indole-1-propiononitrile
- IUPAC
- 3-indol-1-ylpropanenitrile
- English name
- 1H-indole-1-propiononitrile
- Molecular formula
- C11H10N2
- Molecular weight
- 170.2105
Names & synonyms
1H-Indole-1-propiononitrile4414-79-31H-Indole-1-propanenitrile3-(1H-indol-1-yl)propanenitrileIndole-1-propionitrileD9IGY1OIC1NSC-178133-indol-1-ylpropanenitrile3-(1-indolyl)propanonitrileNSC17813EINECS 224-573-31-(cyanoethyl)indole
Show more names
UNII-D9IGY1OIC11-INDOLEPROPIONITRILESCHEMBL3471412SCHEMBL27461986SCHEMBL29379279DTXSID20196055AQVTZBHZFUIILH-UHFFFAOYSA-NHMS1783P01
Database identifiers
- CAS
4414-79-3- PubChem CID
- 78129
- DTXSID
DTXSID20196055- UNII
- D9IGY1OIC1
- EC Number
- 224-573-3
- Nikkaji
- J205.794H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- FDA UNII
- 9 IGY1OIC1 · D9IGY1OIC1
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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