2,3,4,9-Tetrahydro-2,6-dimethyl-1H-pyrido[3,4-b]indole

HCID 757133
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Basic information

CAS
37831-71-3
Standard SMILES
Cc1ccc2[nH]c3c(c2c1)CCN(C)C3
InChIKey
NSDIVZYSCVJIFL-UHFFFAOYSA-N
Molecular formula
C13H16N2
Average molar mass
200.28 g/mol
Monoisotopic mass
200.13134851

Names & identifiers

Preferred name
2,3,4,9-Tetrahydro-2,6-dimethyl-1H-pyrido[3,4-b]indole
IUPAC
2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

Names & synonyms

37831-71-32,3,4,9-tetrahydro-2,6-dimethyl-1h-pyrido[3,4-b]indole2,3,4,9-Tetrahydro-2,6-dimethyl-1H-pyrido(3,4-b)indoleRefChem:2439802,6-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carbolineST0776912,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indoleCBMicro_018580ChemDiv1_000409Oprea1_266563MLS0012105812,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
Show more names
SCHEMBL1120507CHEMBL1330617HMS588C13NSDIVZYSCVJIFL-UHFFFAOYSA-NDTXSID701207995HMS2830B07CCG-6932AKOS000577201

Database identifiers

CAS
37831-71-3
PubChem CID
757133
DTXSID
DTXSID701207995
ChEMBL
CHEMBL1330617
Nikkaji
J573.895D

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
19 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
15

Experimental & physicochemical properties

Solubility>30 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

26 records
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Compound notes

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