Basic information
- CAS
3648-78-0- Standard SMILES
COc1ccc(C2(C#N)CCOCC2)cc1- InChIKey
AEDAKKUAAMXNOA-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile
- IUPAC
- 4-(4-methoxyphenyl)oxane-4-carbonitrile
- English name
- 4-(4-Methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile
- Molecular formula
- C13H15NO2
- Molecular weight
- 217.26
Names & synonyms
4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile3648-78-04-(4-methoxyphenyl)oxane-4-carbonitrileMFCD04061779HMS1555I07TimTec1_007575F2189-1006SCHEMBL1626522DTXSID40359605STK7749904-(1-Cyano-4-oxa-cyclohexyl)anisoleAKOS000112514
Show more names
Tetrahydro-4-(4-methoxyphenyl)-2H-pyran-4-carbonitrile2H-Pyran-4-carbonitrile, tetrahydro-4-(4-methoxyphenyl)-
KS-7553WAY-313732IDI1_033229SY108594DB-348687CS-0061968VU0494918-1W18092
Database identifiers
- CAS
3648-78-0- PubChem CID
- 975133
- DTXSID
DTXSID40359605
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 130 °C · 130 °C(Press: 0.15 Torr)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Off-white to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海技毅生物科技有限公司13621943973 · [email protected]
河北晨药生物科技有限公司13273277291 17611379171 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
湖州澄博生物科技有限公司13626726938
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯裕医药科技有限公司17317130613 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海雪荣化学科技有限公司18201727566 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
11 records
Compound notes
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