5-ethynyl-1-methyl-1H-indole

HCID 12296261
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Basic information

CAS
61640-21-9
Standard SMILES
C#Cc1ccc2c(ccn2C)c1
InChIKey
PYGMFJNZULYAPO-UHFFFAOYSA-N
Molecular formula
C11H9N
Average molar mass
155.2 g/mol
Monoisotopic mass
155.07349929

Names & identifiers

Preferred name
5-ethynyl-1-methyl-1H-indole
IUPAC
5-ethynyl-1-methylindole
English name
1H-Indole,5-ethynyl-1-methyl-(9CI)
Molecular formula
C11H9N
Molecular weight
155.2

Names & synonyms

5-ethynyl-1-methyl-1H-indole61640-21-9DTXSID00485616RefChem:303042DTXCID004364265-ETHYNYL-1-METHYLINDOLE1H-Indole,5-ethynyl-1-methyl-(9CI)1H-Indole, 5-ethynyl-1-methyl-N-methyl-5-ethynylindole5-ethynyl-1-methyl-indoleSCHEMBL3580819PYGMFJNZULYAPO-UHFFFAOYSA-N
Show more names
MFCD18809063AKOS025395137DB-100327H58246EN300-1857434A1-15005

Database identifiers

CAS
61640-21-9
PubChem CID
12296261
DTXSID
DTXSID00485616

Properties

Computed structural properties

XLogP
3
Topological polar surface area
4.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
40 · 40-40.5 °C
Boiling point
287.8 · 287.8±13.0 °C(Predicted)
Density
0.96 · 0.96±0.1 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers5 total

武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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