Home Aminos 5-(1-aminoethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

5-(1-aminoethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

CAS No.:
916201-63-3
Catalog Number:
AG019UT5
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
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Product Description
Catalog Number:
AG019UT5
Chemical Name:
5-(1-aminoethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CAS Number:
916201-63-3
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
MDL Number:
MFCD11131339
IUPAC Name:
5-(1-aminoethyl)-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C9H11N3O/c1-5(10)6-2-3-7-8(4-6)12-9(13)11-7/h2-5H,10H2,1H3,(H2,11,12,13)
InChI Key:
TVMDKCSLHDNETL-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)[nH]c(=O)[nH]2)N
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties