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1210706-38-9 molecular structure
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5-(aminomethyl)-N-methylfuran-2-carboxamide hydrochloride

ChemBase ID: 55169
Molecular Formular: C7H11ClN2O2
Molecular Mass: 190.62744
Monoisotopic Mass: 190.05090528
SMILES and InChIs

SMILES:
o1c(ccc1C(=O)NC)CN.Cl
Canonical SMILES:
CNC(=O)c1ccc(o1)CN.Cl
InChI:
InChI=1S/C7H10N2O2.ClH/c1-9-7(10)6-3-2-5(4-8)11-6;/h2-3H,4,8H2,1H3,(H,9,10);1H
InChIKey:
DHIJVEWUBKSPLZ-UHFFFAOYSA-N

Cite this record

CBID:55169 http://www.chembase.cn/molecule-55169.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(aminomethyl)-N-methylfuran-2-carboxamide hydrochloride
IUPAC Traditional name
5-(aminomethyl)-N-methylfuran-2-carboxamide hydrochloride
Synonyms
5-(Aminomethyl)-N-methyl-2-furamide hydrochloride
CAS Number
1210706-38-9
MDL Number
MFCD13857423
PubChem SID
162059932
PubChem CID
50944233

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 50944233 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 15.2780695 Å3 Polar Surface Area 68.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 13.808259  H Acceptors
H Donor LogD (pH = 5.5) -2.9758368 
LogD (pH = 7.4) -1.3115461  Log P -0.8464216 
Molar Refractivity 40.7749 cm3

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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