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1017113-30-2 | 3-MORPHOLINONE, 6-(AMINOMETHYL)-4-[(4-METHOXYPHENYL)METHYL]-
CAS No: 1017113-30-2 Catalog No: AG0005A5 MDL No:
Product Description
Catalog Number:
AG0005A5
Chemical Name:
3-MORPHOLINONE, 6-(AMINOMETHYL)-4-[(4-METHOXYPHENYL)METHYL]-
CAS Number:
1017113-30-2
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
6-(aminomethyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-one
InChI:
InChI=1S/C13H18N2O3/c1-17-11-4-2-10(3-5-11)7-15-8-12(6-14)18-9-13(15)16/h2-5,12H,6-9,14H2,1H3
InChI Key:
TWFMJAGCCNVNMA-UHFFFAOYSA-N
SMILES:
NCC1OCC(=O)N(C1)Cc1ccc(cc1)OC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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