Home Aminos 7-(1-aminoethyl)-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

7-(1-aminoethyl)-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

CAS No.:
1375208-96-0
Catalog Number:
AG019S3J
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
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Product Description
Catalog Number:
AG019S3J
Chemical Name:
7-(1-aminoethyl)-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CAS Number:
1375208-96-0
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD21602453
IUPAC Name:
7-(1-aminoethyl)-2-ethyl-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C12H16N2O2/c1-3-10-12(15)14-9-5-4-8(7(2)13)6-11(9)16-10/h4-7,10H,3,13H2,1-2H3,(H,14,15)
InChI Key:
VRQXDMHDNLLYPY-UHFFFAOYSA-N
SMILES:
CCC1Oc2cc(ccc2NC1=O)C(N)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties