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100311-09-9 | Benzoic acid, 4-amino-2-(pentyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS No: 100311-09-9 Catalog No: AG0001LZ MDL No:
Product Description
Catalog Number:
AG0001LZ
Chemical Name:
Benzoic acid, 4-amino-2-(pentyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS Number:
100311-09-9
Molecular Formula:
C18H31ClN2O3
Molecular Weight:
358.9033
IUPAC Name:
2-(4-amino-2-pentoxybenzoyl)oxyethyl-diethylazanium;chloride
InChI:
InChI=1S/C18H30N2O3.ClH/c1-4-7-8-12-22-17-14-15(19)9-10-16(17)18(21)23-13-11-20(5-2)6-3;/h9-10,14H,4-8,11-13,19H2,1-3H3;1H
InChI Key:
LQXYIGKYIURAAX-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.202g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.907g/mol
Monoisotopic Mass:
358.202g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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