Basic information
- CAS
4894-26-2- Standard SMILES
C1=NCCc2c1[nH]c1ccccc21- InChIKey
NTYXKFHKVREUMR-UHFFFAOYSA-N- Molecular formula
- C11H10N2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.08439833
Names & identifiers
- Preferred name
- 3H-Pyrido(3,4-b)indole, 4,9-dihydro-
- IUPAC
- 4,9-dihydro-3H-pyrido[3,4-b]indole
- English name
- 3H-Pyrido(3,4-b)indole, 4,9-dihydro-
- Molecular formula
- C11H10N2
- Molecular weight
- 170.21
Names & synonyms
4,9-dihydro-3H-Pyrido[3,4-b]indole4894-26-23H-Pyrido(3,4-b)indole, 4,9-dihydro-4,9-Dihydro-3H-pyrido(3,4-b)indoleDTXSID201976433H-Pyrido[3,4-b]indole, 4,9-dihydro-RefChem:283298DTXCID801201344,9-dihydro-3H-beta-carboline3H,4H,9H-PYRIDO[3,4-B]INDOLECHEMBL2662213,4-dihydrobeta-carboline
Show more names
3,4-dihydro-β-carboline3H-Pyrido(3,4-b)indole, 4,9-dihydro- ISO 9001：2015 REACH
3,4-dihydro-beta-carbolineSCHEMBL678673SCHEMBL18489067SCHEMBL27967505SCHEMBL288956504,9-Dihydro-3H-I(2)-carbolineBDBM50136506SBB062953
Database identifiers
- CAS
4894-26-2- PubChem CID
- 145772
- DTXSID
DTXSID20197643- ChEMBL
CHEMBL266221- Nikkaji
- J302.213G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 120 · 120-130 °C
- Boiling point
- 378.7 · 378.7±31.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 16.32 · 16.32±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers10 total
杭州品高化工有限公司0571-87658025 · [email protected]
凯美赛尔生物医药有限公司020-13556033878 2965585218 13556033878 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
南京诺利斯医药科技有限公司13901585132 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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