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927684-97-7 molecular structure
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1-methyl-1,2,3,4-tetrahydroquinolin-7-amine hydrochloride

ChemBase ID: 66845
Molecular Formular: C10H15ClN2
Molecular Mass: 198.6925
Monoisotopic Mass: 198.09237617
SMILES and InChIs

SMILES:
N1(CCCc2ccc(cc12)N)C.Cl
Canonical SMILES:
Nc1ccc2c(c1)N(C)CCC2.Cl
InChI:
InChI=1S/C10H14N2.ClH/c1-12-6-2-3-8-4-5-9(11)7-10(8)12;/h4-5,7H,2-3,6,11H2,1H3;1H
InChIKey:
LPBQFAWSKKXLRD-UHFFFAOYSA-N

Cite this record

CBID:66845 http://www.chembase.cn/molecule-66845.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1,2,3,4-tetrahydroquinolin-7-amine hydrochloride
IUPAC Traditional name
1-methyl-3,4-dihydro-2H-quinolin-7-amine hydrochloride
Synonyms
7-Amino-N-methyl-1,2,3,4-tetrahydroquinoline hydrochloride
CAS Number
927684-97-7
MDL Number
MFCD09839668
PubChem SID
162032581
PubChem CID
24820541

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24820541 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4142547  LogD (pH = 7.4) 1.7308192 
Log P 1.7368209  Molar Refractivity 53.0976 cm3
Polarizability 19.177847 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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