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1072806-60-0 molecular structure
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1,3-oxazol-4-ylmethanamine hydrochloride

ChemBase ID: 78052
Molecular Formular: C4H7ClN2O
Molecular Mass: 134.56418
Monoisotopic Mass: 134.02469053
SMILES and InChIs

SMILES:
o1cc(nc1)CN.Cl
Canonical SMILES:
NCc1cocn1.Cl
InChI:
InChI=1S/C4H6N2O.ClH/c5-1-4-2-7-3-6-4;/h2-3H,1,5H2;1H
InChIKey:
AFADDGJWYGIXSB-UHFFFAOYSA-N

Cite this record

CBID:78052 http://www.chembase.cn/molecule-78052.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-oxazol-4-ylmethanamine hydrochloride
IUPAC Traditional name
1,3-oxazol-4-ylmethanamine hydrochloride
Synonyms
(1,3-Oxazol-4-yl)methylamine hydrochloride
4-(Aminomethyl)-1,3-oxazole hydrochloride, tech
4-Oxazolemethanamine hydrochloride
CAS Number
1072806-60-0
MDL Number
MFCD08437648
PubChem SID
162042886
PubChem CID
45790028

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45790028 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.314529  LogD (pH = 7.4) -1.6235253 
Log P -0.8776225  Molar Refractivity 24.7186 cm3
Polarizability 9.694505 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
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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