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Carbazole, 9-(3-(dimethylamino)propyl)-

HCID 30316
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Basic information

CAS
20811-26-1
Standard SMILES
CN(C)CCCn1c2ccccc2c2ccccc21
InChIKey
YSZTZAYSHQJVQU-UHFFFAOYSA-N
Molecular formula
C17H20N2
Average molar mass
252.35 g/mol
Monoisotopic mass
252.16264865

Names & identifiers

Preferred name
Carbazole, 9-(3-(dimethylamino)propyl)-
IUPAC
3-carbazol-9-yl-N,N-dimethylpropan-1-amine
English name
N,N-Dimethyl-3-(9H-carbazole-9-yl)propane-1-amine
Molecular formula
C17H20N2
Molecular weight
252.35

Names & synonyms

20811-26-1BRN 0220082CARBAZOLE, 9-(3-(DIMETHYLAMINO)PROPYL)-N,N-Dimethyl-9H-carbazole-9-propanamine9-(gamma-Dimethylaminopropyl)carbazoleDimethylamino-propyl-carbazol [German]Dimethylamino-propyl-carbazol9H-Carbazole-9-propanamine, N,N-dimethyl-DTXSID101749234-20-00-03846 (Beilstein Handbook Reference)RefChem:333294DTXCID9097414
Show more names
9-[3-(Dimethylamino)propyl]-9H-carbazole
9H-Carbazole-9-propanamine, N,N-dimethyl-(9CI)3-(9H-carbazol-9-yl)-N,N-dimethylpropan-1-amine9-(3-(N,N-dimethylamino)propyl)carbazole[3-(9H-carbazol-9-yl)propyl]dimethylamineSCHEMBL541688N,N-Dimethyl-3-(9H-carbazole-9-yl)propane-1-amineSCHEMBL17444583SCHEMBL29907915

Database identifiers

CAS
20811-26-1
PubChem CID
30316
DTXSID
DTXSID10174923
Nikkaji
J48.444J

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
8.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
267

Physicochemical properties

Melting point
175 · 175-177 °C
Boiling point
152 · 152-155 °C(Press: 0.3 Torr)
Density
1.04 · 1.04±0.1 g/cm3(Predicted)
pka
9.27 · 9.27±0.28(Predicted)

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Related reactions

10 records
New reaction record
HRID 103702 reaction equation
HRID 103702As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 348530 reaction equation
HRID 348530As productuspto-grants-2007_02
HRID 514756 reaction equation
HRID 514756As reactantuspto-grants-2015_08
HRID 514789 reaction equation
HRID 514789As productuspto-grants-2015_08
HRID 659640 reaction equation
HRID 659640As productuspto-grants-2011_12
HRID 659641 reaction equation
HRID 659641As reactantuspto-grants-2011_12
HRID 804865 reaction equation
HRID 804865As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1615003 reaction equation
HRID 1615003As reactantuspto-grants-2014_07
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Compound notes

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