2,3,9,9a-tetrahydro-1H-carbazol-4(4aH)-one

HCID 178531663

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Basic information

CAS: 206647-27-0
Standard SMILES: O=C1CCCC2Nc3ccccc3C12
InChIKey: NHZRIEOWXAIDKA-UHFFFAOYSA-N
Molecular formula: C12H13NO
Average molar mass: 187.24 g/mol
Monoisotopic mass: 187.09971404

Names & identifiers

Preferred name: 2,3,9,9a-tetrahydro-1H-carbazol-4(4aH)-one
IUPAC: 1,2,3,4a,9,9a-hexahydrocarbazol-4-one
English name: 1,2,3,4-TETRAHYDRO-4-OXO-CARBAZOLE
Molecular formula: C12H13NO
Molecular weight: 187.24

Names & synonyms

206647-27-02,3,9,9a-tetrahydro-1H-carbazol-4(4aH)-oneCarvedilol Impurity 23SCHEMBL5202896AKOS025401331AC-105922,3-Dihydro-1H-carbazol-4(9H)-oneRARECHEM AK MA K0534-OXO-1,2,3,4-TETRAHYDROCARBAZOLE1,2,4a,9a-tetrahydro-4-oxo-carbazole1,2,3,4a,9,9a-hexahydrocarbazol-4-one1,2,3,9-TETRAHYDRO-4H-CARBAZOLE-4-ONE

Show more names

1,2,3,4-TETRAHYDRO-4H-CARBAZOLE-4-ONE1,2,3,4-TETRAHYDRO-9H-CARBAZOLE-4-ONE1,2,3,9-TETRAHYDRO-9[H]-CARBAZOLE-4-ONE1,2,3,4a,9,9a-Hexahydro-4H-carbazol-4-one

Database identifiers

CAS: 206647-27-0
PubChem CID: 16050243

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 251

Physicochemical properties

Boiling point: 335.7 · 335.7±41.0 °C(Predicted)
Density: 1.148 · 1.148
pka: 4.93 · 4.93±0.20(Predicted)
CAS DataBase Reference: 206647 · 206647-27-0(CAS DataBase Reference)

Chemistry & industry

Suppliers20 total

陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

郑州德元凯化工有限公司17837139533 · [email protected]

上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]

深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

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