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1196156-45-2 molecular structure
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1,3-oxazol-5-ylmethanamine hydrochloride

ChemBase ID: 67222
Molecular Formular: C4H7ClN2O
Molecular Mass: 134.56418
Monoisotopic Mass: 134.02469053
SMILES and InChIs

SMILES:
o1cncc1CN.Cl
Canonical SMILES:
NCc1cnco1.Cl
InChI:
InChI=1S/C4H6N2O.ClH/c5-1-4-2-6-3-7-4;/h2-3H,1,5H2;1H
InChIKey:
GWGCSOXRJFLPEH-UHFFFAOYSA-N

Cite this record

CBID:67222 http://www.chembase.cn/molecule-67222.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-oxazol-5-ylmethanamine hydrochloride
(1,3-oxazol-5-yl)methanamine hydrochloride
IUPAC Traditional name
1,3-oxazol-5-ylmethanamine hydrochloride
Synonyms
Oxazol-5-yl-methylamine hydrochloride
(1,3-Oxazol-5-yl)methylamine monohydrochloride
5-(Aminomethyl)-1,3-oxazole monohydrochloride
oxazol-5-ylmethanamine hydrochloride
CAS Number
1196156-45-2
847491-00-3
MDL Number
MFCD06804578
MFCD09878914
PubChem SID
162032958
PubChem CID
45790095

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2465565  LogD (pH = 7.4) -1.5659714 
Log P -1.0390933  Molar Refractivity 25.1183 cm3
Polarizability 9.694477 Å3 Polar Surface Area 52.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
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
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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