2,3,4,4a,9,9a-Hexahydro-1H-carbazole

HCID 101162
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Basic information

CAS
1775-86-6
Standard SMILES
c1ccc2c(c1)NC1CCCCC21
InChIKey
HYKFPJAARRNNRX-UHFFFAOYSA-N
Molecular formula
C12H15N
Average molar mass
173.25 g/mol
Monoisotopic mass
173.12044948

Names & identifiers

Preferred name
2,3,4,4a,9,9a-Hexahydro-1H-carbazole
IUPAC
2,3,4,4a,9,9a-hexahydro-1H-carbazole
English name
2,3,4,4a,9,9a-hexahydro-1H-carbazole
Molecular formula
C12H15N
Molecular weight
173.25

Names & synonyms

2,3,4,4a,9,9a-Hexahydro-1H-carbazole1775-86-6EINECS 217-206-3DTXSID60938936NSC 408024RefChem:81215DTXCID001367451217-206-3MFCD002277351H-Carbazole, 2,3,4,4a,9,9a-hexahydro-1,2,3,4,4a,9a-hexahydrocarbazoleNSC408024
Show more names
5,6,7,8,8a,9-hexahydro-4bH-carbazole
Oprea1_859645SCHEMBL453885SCHEMBL453886SCHEMBL4498580SCHEMBL7784101SCHEMBL7837863SCHEMBL9410356SCHEMBL17350489

Database identifiers

CAS
1775-86-6
PubChem CID
101162
DTXSID
DTXSID60938936
EC Number
217-206-3
Nikkaji
J13.061C

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

Melting point
99 °C · 99 °C
Boiling point
147 · 147-149 °C(Press: 0.45 Torr)
Density
1.04 · 1.040±0.06 g/cm3(Predicted)
pka
6.42 · 6.42±0.20(Predicted)

Chemistry & industry

Suppliers12 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海辰烛医药科技有限公司13162380607 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海相辉医药科技有限公司[email protected]

Related reactions

4 records
New reaction record

Compound notes

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