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90874-58-1 molecular structure
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7-methyl-1,2,3,4-tetrahydroquinoline hydrochloride

ChemBase ID: 293659
Molecular Formular: C10H14ClN
Molecular Mass: 183.67786
Monoisotopic Mass: 183.08147713
SMILES and InChIs

SMILES:
Cc1cc2c(cc1)CCCN2.Cl
Canonical SMILES:
Cc1ccc2c(c1)NCCC2.Cl
InChI:
InChI=1S/C10H13N.ClH/c1-8-4-5-9-3-2-6-11-10(9)7-8;/h4-5,7,11H,2-3,6H2,1H3;1H
InChIKey:
UICVGPNOMIVWOT-UHFFFAOYSA-N

Cite this record

CBID:293659 http://www.chembase.cn/molecule-293659.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methyl-1,2,3,4-tetrahydroquinoline hydrochloride
IUPAC Traditional name
7-methyl-1,2,3,4-tetrahydroquinoline hydrochloride
Synonyms
7-Methyl-1,2,3,4-tetrahydroquinoline hydrochloride
CAS Number
90874-58-1
MDL Number
MFCD09026784
PubChem SID
180679190
PubChem CID
57474502

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD35390 Please log in.
Data Source Data ID
PubChem 57474502 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.320184  LogD (pH = 7.4) 2.4421027 
Log P 2.4439025  Molar Refractivity 49.2036 cm3
Polarizability 17.978071 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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