Home Aminos 1-(4-aminophenyl)-3-(oxolan-2-ylmethyl)urea

1-(4-aminophenyl)-3-(oxolan-2-ylmethyl)urea

CAS No.:
1156147-59-9
Catalog Number:
AG019KSE
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
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Product Description
Catalog Number:
AG019KSE
Chemical Name:
1-(4-aminophenyl)-3-(oxolan-2-ylmethyl)urea
CAS Number:
1156147-59-9
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD12412719
IUPAC Name:
1-(4-aminophenyl)-3-(oxolan-2-ylmethyl)urea
InChI:
InChI=1S/C12H17N3O2/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h3-6,11H,1-2,7-8,13H2,(H2,14,15,16)
InChI Key:
PBXAKOQQFUMWLR-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)N)NCC1CCCO1
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties