Home Aminos [4-(1-aminoethyl)phenyl]urea

[4-(1-aminoethyl)phenyl]urea

CAS No.:
954578-48-4
Catalog Number:
AG019N9R
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
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Product Description
Catalog Number:
AG019N9R
Chemical Name:
[4-(1-aminoethyl)phenyl]urea
CAS Number:
954578-48-4
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD09742550
IUPAC Name:
[4-(1-aminoethyl)phenyl]urea
InChI:
InChI=1S/C9H13N3O/c1-6(10)7-2-4-8(5-3-7)12-9(11)13/h2-6H,10H2,1H3,(H3,11,12,13)
InChI Key:
JAKQIIOIZBBZSL-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccc(cc1)C(N)C
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties