Basic information
- CAS
17790-93-1- Standard SMILES
CC(C)c1cc2ccccc2[nH]1- InChIKey
XSRLHGSAMGVDJU-UHFFFAOYSA-N- Molecular formula
- C11H13N
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.10479942
Names & identifiers
- Preferred name
- 2-Isopropyl-1H-indole
- IUPAC
- 2-propan-2-yl-1H-indole
- English name
- 2-isopropyl-1H-indole
- Molecular formula
- C11H13N
- Molecular weight
- 159.23
Names & synonyms
2-Isopropyl-1H-indole17790-93-12-propan-2-yl-1H-indoleEINECS 241-767-32-(propan-2-yl)-1H-indoleMFCD009567011H-Indole, 2-(1-methylethyl)-Isopropylindol2-(1-Methylethyl)-1H-indole2-isopropylindoleSCHEMBL336690SCHEMBL1327116
Show more names
SCHEMBL1706542SCHEMBL5602680SCHEMBL10492267SCHEMBL30733359DTXSID20170395HS-51181H-Indole,2-(1-methylethyl)-(9CI)DA-26062
Database identifiers
- CAS
17790-93-1- PubChem CID
- 87307
- DTXSID
DTXSID20170395- EC Number
- 241-767-3
- Nikkaji
- J287.152A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 73.5 °C · 73.5 °C
- Boiling point
- 281.3 · 281.3±9.0 °C(Predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 17.44 · 17.44±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers18 total
宁波振岳医药科技有限公司19817745290 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
上海相辉医药科技有限公司[email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海篆乾生物科技有限公司15721176654;15710104046 · [email protected]
上海诚合医药科技有限公司021-021-54382182 18601603956 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
Related reactions
6 records
Compound notes
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