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1314987-87-5 | Benzoic acid, 4-amino-3-(diethylamino)-, methyl ester
CAS No: 1314987-87-5 Catalog No: AG000WCQ MDL No:MFCD19684091
Product Description
Catalog Number:
AG000WCQ
Chemical Name:
Benzoic acid, 4-amino-3-(diethylamino)-, methyl ester
CAS Number:
1314987-87-5
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
MDL Number:
MFCD19684091
IUPAC Name:
methyl 4-amino-3-(diethylamino)benzoate
InChI:
InChI=1S/C12H18N2O2/c1-4-14(5-2)11-8-9(12(15)16-3)6-7-10(11)13/h6-8H,4-5,13H2,1-3H3
InChI Key:
ILZMGHGPYNRXCS-UHFFFAOYSA-N
SMILES:
CCN(c1cc(ccc1N)C(=O)OC)CC
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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