Basic information
- CAS
63815-39-4- Standard SMILES
COc1ccc(OCCC#N)cc1- InChIKey
DTAWFMRIHNITFA-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenoxy)propanenitrile
- IUPAC
- 3-(4-methoxyphenoxy)propanenitrile
- English name
- 3-(4-methoxyphenoxy)propanenitrile
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
3-(4-methoxyphenoxy)propanenitrile63815-39-4Propionitrile, 3-(p-methoxyphenoxy)-DTXSID10213260RefChem:1066877DTXCID10135751MFCD008328094- (2-Cyanoethoxy)anisoleUSAF EL-68BRN 3263480beta-(p-Methoxyphenoxy)-propionitrileF1575-0099
Show more names
Propanenitrile, 3-(4-methoxyphenoxy)-
4-(2-Cyanoethoxy)anisole4-06-00-05747 (Beilstein Handbook Reference)SCHEMBL18106282-(4-Methoxyphenoxy)cyanoethane3-(4-methoxyphenoxy)propionitrileDTAWFMRIHNITFA-UHFFFAOYSA-NNCA81539CCG-42521
Database identifiers
- CAS
63815-39-4- PubChem CID
- 114247
- DTXSID
DTXSID10213260- Nikkaji
- J3.809.057G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 63 · 63-64.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 335.2 · 335.2±22.0 °C(Predicted)
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety data
- hs_code
- 2926907090
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers26 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）
Related reactions
25 records
Compound notes
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