Basic information
- CAS
4290-87-3- Standard SMILES
C#CCN1C(=O)C(=O)c2ccccc21- InChIKey
MGVPLJCIKWDYKQ-UHFFFAOYSA-N- Molecular formula
- C11H7NO2
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.04767847
Names & identifiers
- Preferred name
- 1-(Prop-2-yn-1-yl)-1H-indole-2,3-dione
- IUPAC
- 1-prop-2-ynylindole-2,3-dione
- English name
- 1-(2-PROPYNYL)-1H-INDOLE-2,3-DIONE
- Molecular formula
- C11H7NO2
- Molecular weight
- 185.18
Names & synonyms
1-(prop-2-yn-1-yl)-1H-indole-2,3-dioneDTXSID40365569RefChem:1054756DTXCID103166094290-87-31-(2-Propynyl)-1H-indole-2,3-dione1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indole-2,3-dione1-(Prop-2-yn-1-yl)indoline-2,3-dione1-prop-2-ynylindole-2,3-dioneMFCD00225166N-propargylisatinSCHEMBL949868
Show more names
TIMTEC-BB SBB0068191-PROP-2-YNYL-1H-INDOLE-2,3-DIONE1H-Indole-2,3-dione, 1-(2-propyn-1-yl)-
CHEMBL3965645SCHEMBL31440737MGVPLJCIKWDYKQ-UHFFFAOYSA-N1-prop-2-ynylindoline-2,3-dioneEAA29087EBC-12857SBB006819STK824108
Database identifiers
- CAS
4290-87-3- PubChem CID
- 1909002
- DTXSID
DTXSID40365569- ChEMBL
CHEMBL3965645- EC Number
- 879-787-5
- Nikkaji
- J1.965.266A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Melting point
- 158 · 158-161°C
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- risk_code
- 43
- safety_code
- 36/37
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers20 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
天津安浩生物科技有限公司[email protected]
晶墨(厦门)生物科技有限公司13621943973; 13621943973 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
7 records
Compound notes
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