Basic information
- CAS
117291-44-8- Standard SMILES
NC1CC(=O)c2ccccc21- InChIKey
HNXHMCTUYDVMNC-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- 3-Amino-1-indanone
- IUPAC
- 3-amino-2,3-dihydroinden-1-one
- English name
- 3-Amino-1-indanone
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
117291-44-83-AMINO-1-INDANONEDTXSID70327796RefChem:276299DTXCID802789073-Aminoindan-1-one3-AMINO-2,3-DIHYDRO-1H-INDEN-1-ONE3-amino-2,3-dihydroinden-1-oneNCI60_031471SCHEMBL1989836CHEMBL2008539AKOS005266763
Show more names
Rasagiline Impurity 653-amino-2,3-dihydroindene-1-one1H-Inden-1-one, 3-amino-2,3-dihydro-
AB50544DA-24334CS-0116784EN300-150582
Database identifiers
- CAS
117291-44-8- PubChem CID
- 390199
- DTXSID
DTXSID70327796- ChEMBL
CHEMBL2008539- Nikkaji
- J535.473K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 262 · 262.0±39.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 7.01 · 7.01±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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