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861036-67-1 molecular structure
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quinolin-2-ylmethanamine hydrochloride

ChemBase ID: 78301
Molecular Formular: C10H11ClN2
Molecular Mass: 194.66074
Monoisotopic Mass: 194.06107604
SMILES and InChIs

SMILES:
n1c(ccc2ccccc12)CN.Cl
Canonical SMILES:
NCc1ccc2c(n1)cccc2.Cl
InChI:
InChI=1S/C10H10N2.ClH/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h1-6H,7,11H2;1H
InChIKey:
SUSYYDXUTFWSRV-UHFFFAOYSA-N

Cite this record

CBID:78301 http://www.chembase.cn/molecule-78301.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinolin-2-ylmethanamine hydrochloride
IUPAC Traditional name
quinolin-2-ylmethanamine hydrochloride
Synonyms
(2-quinolyl)methylamine hydrochloride
(Quinolin-2-yl)methylamine hydrochloride
2-(Aminomethyl)quinoline hydrochloride
CAS Number
861036-67-1
MDL Number
MFCD09966142
PubChem SID
162043073
PubChem CID
18507529

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18507529 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.403273  LogD (pH = 7.4) 0.16319142 
Log P 1.3381408  Molar Refractivity 47.9305 cm3
Polarizability 20.426949 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Store under Argon expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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