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625-52-5 molecular structure
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ethylurea

ChemBase ID: 88819
Molecular Formular: C3H8N2O
Molecular Mass: 88.10842
Monoisotopic Mass: 88.06366289
SMILES and InChIs

SMILES:
NC(=O)NCC
Canonical SMILES:
CCNC(=O)N
InChI:
InChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)
InChIKey:
RYECOJGRJDOGPP-UHFFFAOYSA-N

Cite this record

CBID:88819 http://www.chembase.cn/molecule-88819.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethylurea
IUPAC Traditional name
ethylurea
Synonyms
1-Ethylurea
N-Ethylurea
ETHYLUREA (MONO)
Ethylurea
N-乙基脲
乙基尿素
CAS Number
625-52-5
EC Number
210-898-8
MDL Number
MFCD00007953
Beilstein Number
1740512
PubChem SID
24845628
162075723
24894600
PubChem CID
12254

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.74978  H Acceptors
H Donor LogD (pH = 5.5) -0.7833499 
LogD (pH = 7.4) -0.7833499  Log P -0.7833498 
Molar Refractivity 22.7879 cm3 Polarizability 8.642821 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble0.1 g/mL, clear, colorless expand Show data source
Melting Point
87-90 °C expand Show data source
87-90 °C(lit.) expand Show data source
87-90°C expand Show data source
88-94°C expand Show data source
Flash Point
199.4 °F expand Show data source
93 °C expand Show data source
93.4°C expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
YT2335000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (N) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C2H5NHCONH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05214889 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - E51007 external link
Packaging
25, 100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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