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1196151-54-8 molecular structure
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(5-methyl-1,3-oxazol-4-yl)methanamine hydrochloride

ChemBase ID: 813859
Molecular Formular: C5H9ClN2O
Molecular Mass: 148.59076
Monoisotopic Mass: 148.0403406
SMILES and InChIs

SMILES:
Cl.C(N)c1ncoc1C
Canonical SMILES:
Cc1ocnc1CN.Cl
InChI:
InChI=1S/C5H8N2O.ClH/c1-4-5(2-6)7-3-8-4;/h3H,2,6H2,1H3;1H
InChIKey:
UAFXCRDHQBOXIZ-UHFFFAOYSA-N

Cite this record

CBID:813859 http://www.chembase.cn/molecule-813859.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-methyl-1,3-oxazol-4-yl)methanamine hydrochloride
IUPAC Traditional name
(5-methyl-1,3-oxazol-4-yl)methanamine hydrochloride
Synonyms
(5-methyloxazol-4-yl)methanamine hydrochloride
CAS Number
1196151-54-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35963 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35963 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1363354  LogD (pH = 7.4) -1.4477454 
Log P -0.6780611  Molar Refractivity 29.8683 cm3
Polarizability 11.452311 Å3 Polar Surface Area 52.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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