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25208-34-8 molecular structure
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9H-pyrido[2,3-b]indol-4-amine

ChemBase ID: 159905
Molecular Formular: C11H9N3
Molecular Mass: 183.20926
Monoisotopic Mass: 183.0796473
SMILES and InChIs

SMILES:
c1ccc2c(c1)c1c([nH]2)nccc1N
Canonical SMILES:
Nc1ccnc2c1c1ccccc1[nH]2
InChI:
InChI=1S/C11H9N3/c12-8-5-6-13-11-10(8)7-3-1-2-4-9(7)14-11/h1-6H,(H3,12,13,14)
InChIKey:
KDEXDIOVHDTJQK-UHFFFAOYSA-N

Cite this record

CBID:159905 http://www.chembase.cn/molecule-159905.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9H-pyrido[2,3-b]indol-4-amine
IUPAC Traditional name
9H-pyrido[2,3-b]indol-4-amine
Synonyms
9H-Pyrido[2,3-b]indol-4-amine
1H-Pyrido[2,3-b]indol-4-amine
4-Amino α-Carboline
CAS Number
25208-34-8
PubChem SID
162254040
PubChem CID
18756245

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A603045 external link Add to cart
PubChem 18756245 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 18756245 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.481202  H Acceptors
H Donor LogD (pH = 5.5) 0.55448204 
LogD (pH = 7.4) 1.3402964  Log P 1.4117494 
Molar Refractivity 55.9683 cm3 Polarizability 22.698292 Å3
Polar Surface Area 54.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A603045 external link
α-Carboline (C176600) derivative as antiviral agent.

REFERENCES

REFERENCES

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  • • Bolton, D., et al.: Bioorg. Med. Chem. Lett., 3, 1941 (1993)
  • • Jacquemard, U., et al.: Org. Biomol. Chem., 2, 1476 (1993)
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PATENTS

PATENTS

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INTERNET

INTERNET

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