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78986-75-1 | Butanoic acid, 2,2-diethyl-, 2-(ethylamino)-1-phenylpropyl ester
CAS No: 78986-75-1 Catalog No: AG005CTI MDL No:
Product Description
Catalog Number:
AG005CTI
Chemical Name:
Butanoic acid, 2,2-diethyl-, 2-(ethylamino)-1-phenylpropyl ester
CAS Number:
78986-75-1
Molecular Formula:
C19H31NO2
Molecular Weight:
305.4549
IUPAC Name:
[2-(ethylamino)-1-phenylpropyl] 2,2-diethylbutanoate
InChI:
InChI=1S/C19H31NO2/c1-6-19(7-2,8-3)18(21)22-17(15(5)20-9-4)16-13-11-10-12-14-16/h10-15,17,20H,6-9H2,1-5H3
InChI Key:
PFECQTRBIPIMSP-UHFFFAOYSA-N
SMILES:
CCNC(C(c1ccccc1)OC(=O)C(CC)(CC)CC)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.235g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.462g/mol
Monoisotopic Mass:
305.235g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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