4-(oxiran-2-ylmethoxy)-1H-indole

HCID 605015
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Basic information

CAS
35308-87-3
Standard SMILES
c1cc(OCC2CO2)c2cc[nH]c2c1
InChIKey
CTWQPSSVUYPWOM-UHFFFAOYSA-N
Molecular formula
C11H11NO2
Average molar mass
189.21 g/mol
Monoisotopic mass
189.07897859

Names & identifiers

Preferred name
4-(oxiran-2-ylmethoxy)-1H-indole
IUPAC
4-(oxiran-2-ylmethoxy)-1H-indole
English name
4-(oxiranylmethoxy)-1H-indole
Molecular formula
C11H11NO2
Molecular weight
189.21

Names & synonyms

4-(oxiran-2-ylmethoxy)-1H-indole35308-87-34-(Oxiranylmethoxy)-1H-indole1,2-epoxy-3-(indol-4-yloxy)propane4-(2,3-Epoxypropoxy)indole4-[(oxiran-2-yl)methoxy]-1H-indoleglycidyl 4-indolyl etherMFCD098344101H-Indole, 4-(2-oxiranylmethoxy)-EINECS 252-506-84-oxiranylmethoxy-1H-indole1H-Indole,4-(2-oxiranylmethoxy)-
Show more names
4-(Oxiranylmethoxy)indoleTSG28ZRK8T4-Oxiranylmethoxy-1-H-indoleSCHEMBL1499352SCHEMBL29989447DTXSID909567441H-Indole, 4-(oxiranylmethoxy)-4-(2-Oxiranylmethoxy)-1H-indole

Database identifiers

CAS
35308-87-3
PubChem CID
605015
DTXSID
DTXSID90956744
UNII
TSG28ZRK8T
EC Number
252-506-8
Nikkaji
J260.582A

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
37.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Melting point
64 · 64-66 °C(Solv: ethyl acetate (141-78-6))
Boiling point
381.2 · 381.2±12.0 °C(Predicted)
Density
1.294 · 1.294±0.06 g/cm3(Predicted)
pka
17.1 · 17.10±0.30(Predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers8 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]

Related reactions

72 records
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Compound notes

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