Home Other Building Blocks (3-phenylpropyl)urea

(3-phenylpropyl)urea

CAS No.:
25017-27-0
Catalog Number:
AG01AAFH
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
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Product Description
Catalog Number:
AG01AAFH
Chemical Name:
(3-phenylpropyl)urea
CAS Number:
25017-27-0
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD01675795
IUPAC Name:
3-phenylpropylurea
InChI:
InChI=1S/C10H14N2O/c11-10(13)12-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,11,12,13)
InChI Key:
YDORGPSKSSWFBX-UHFFFAOYSA-N
SMILES:
NC(=O)NCCCc1ccccc1
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
1-(3-Phenyl-prop-yl)urea. Acta crystallographica. Section E, Structure reports online 20091001
Properties