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MFCD17214191 molecular structure
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(3,5-dimethylpyridin-2-yl)methanamine hydrochloride

ChemBase ID: 90588
Molecular Formular: C8H13ClN2
Molecular Mass: 172.65522
Monoisotopic Mass: 172.07672611
SMILES and InChIs

SMILES:
n1cc(cc(c1CN)C)C.Cl
Canonical SMILES:
NCc1ncc(cc1C)C.Cl
InChI:
InChI=1S/C8H12N2.ClH/c1-6-3-7(2)8(4-9)10-5-6;/h3,5H,4,9H2,1-2H3;1H
InChIKey:
CRZCWKXFDPCJAK-UHFFFAOYSA-N

Cite this record

CBID:90588 http://www.chembase.cn/molecule-90588.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3,5-dimethylpyridin-2-yl)methanamine hydrochloride
IUPAC Traditional name
(3,5-dimethylpyridin-2-yl)methanamine hydrochloride
Synonyms
(3,5-Dimethylpyridin-2-yl)methylamine hydrochloride
2-(Aminomethyl)-3,5-lutidine hydrochloride
2-(Aminomethyl)-3,5-dimethylpyridine hydrochloride
MDL Number
MFCD17214191
PubChem SID
162077383
PubChem CID
53395591

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 53395591 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7652017  LogD (pH = 7.4) -0.20618588 
Log P 0.9896565  Molar Refractivity 41.9347 cm3
Polarizability 16.33867 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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