Basic information
- CAS
173998-72-6- Standard SMILES
NC1CCc2cc(F)cc(F)c21- InChIKey
WFNMSZYZLUAEER-UHFFFAOYSA-N- Molecular formula
- C9H9F2N
- Average molar mass
- 169.17 g/mol
- Monoisotopic mass
- 169.07030562
Names & identifiers
- Preferred name
- 5,7-Difluoro-2,3-dihydro-1H-inden-1-amine
- IUPAC
- 5,7-difluoro-2,3-dihydro-1H-inden-1-amine
- English name
- 5,7-DIFLUORO-INDAN-1-YLAMINE
- Molecular formula
- C9H9F2N
- Molecular weight
- 169.17
Names & synonyms
5,7-DIFLUORO-2,3-DIHYDRO-1H-INDEN-1-AMINE173998-72-65,7-DIFLUORO-INDAN-1-YLAMINEMFCD073739295,7-difluoroindan-1-amine1-Amino-5,7-difluoroindaneSCHEMBL8614271DTXSID101271372AKOS006285089AB38329AB38333AB38334
Show more names
1H-Inden-1-amine, 5,7-difluoro-2,3-dihydro-
AC-31648AS-49819SY244722DB-295874CS-0328531N10997
Database identifiers
- CAS
173998-72-6- PubChem CID
- 19699345
- DTXSID
DTXSID101271372
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 196.6 · 196.6±40.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 8.66 · 8.66±0.20(Predicted)
Chemistry & industry
Suppliers21 total
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海冬洋生物科技有限公司18657622632 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
重庆艾思摩尔科技有限公司023-86822659 18611316925 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13917420128 13062833949 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Related reactions
1 records
Compound notes
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