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N-Allyl-N'-ethylurea

HCID 253125
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Basic information

CAS
67132-59-6
Standard SMILES
C=CCNC(=O)NCC
InChIKey
IPNNSYVUNMQMQC-UHFFFAOYSA-N
Molecular formula
C6H12N2O
Average molar mass
128.17 g/mol
Monoisotopic mass
128.09496301

Names & identifiers

Preferred name
N-Allyl-N'-ethylurea
IUPAC
1-ethyl-3-prop-2-enylurea
English name
N-Allyl-N'-ethylurea
Molecular formula
C8H16N2O
Molecular weight
156.23

Names & synonyms

N-ALLYL-N'-ETHYLUREA89607-21-667132-59-6NSC75597NCIOpen2_000817SCHEMBL3182230DTXSID70986165Urea,n-ethyl-n-2-propen-1-yl-NSC-75597AKOS006242929DS-012584N'-Ethyl-N-prop-2-en-1-ylcarbamimidic acid
Show more names
Urea, N,N-diethyl-N'-2-propen-1-yl-
N'-Ethyl-N-(prop-2-en-1-yl)carbamimidic acid

Database identifiers

CAS
67132-59-6、89607-21-6
PubChem CID
253125
DTXSID
DTXSID70986165
Nikkaji
J441.053J

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
41.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
9
Formal charge
0
Complexity
101

Physicochemical properties

Boiling point
109 · 109-110 °C(Press: 1 Torr)
Density
0.925 · 0.925±0.06 g/cm3(Predicted)
pka
13.99 · 13.99±0.46(Predicted)

Related reactions

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Compound notes

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