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101871-81-2,MFCD11756585
Catalog No.:AA0005Q4
101871-81-2 | Urea, N-phenyl-N'-2-propyn-1-yl-
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Purity
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100mg
95%
2 weeks  
$154.00   $108.00
- +
250mg
95%
2 weeks  
$227.00   $159.00
- +
1g
95%
2 weeks  
$396.00   $277.00
- +
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Technical Information
Catalog Number:
AA0005Q4
Chemical Name:
Urea, N-phenyl-N'-2-propyn-1-yl-
CAS Number:
101871-81-2
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD11756585
IUPAC Name:
1-phenyl-3-prop-2-ynylurea
InChI:
InChI=1S/C10H10N2O/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h1,3-7H,8H2,(H2,11,12,13)
InChI Key:
LPMOFOYPMBQANL-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)Nc1ccccc1
Properties
Computed Properties
 
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
1-phenyl-3-prop-2-yn-1-ylurea 
101871-81-2 
CTK0G7938 
DTXSID60559180 
LPMOFOYPMBQANL-UHFFFAOYSA-N 
N-Phenyl-N'-prop-2-yn-1-ylurea 
MFCD11756585 
ZINC32759224 
AKOS009036277 
Urea, N-phenyl-N'-2-propyn-1-yl- 
MCULE-7077295972 
NE37593 
1-phenyl-3-(prop-2-yn-1-yl)urea 
EN300-53294 
Urea, N-phenyl-N'-2-propynyl- 
ACMC-20m4vk 
AC1Q5OIA 
1-Phenyl-3-propargylurea 
N-phenyl-N'-propargylurea 
SCHEMBL3866414 
3-(2-propynyl)-1-phenyl urea 
Literature
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