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25224-49-1 | Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS No: 25224-49-1 Catalog No: AG002QZG MDL No:
Product Description
Catalog Number:
AG002QZG
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS Number:
25224-49-1
Molecular Formula:
C17H30ClNO2
Molecular Weight:
315.8786
IUPAC Name:
2-(diethylamino)ethyl adamantane-1-carboxylate;hydrochloride
InChI:
InChI=1S/C17H29NO2.ClH/c1-3-18(4-2)5-6-20-16(19)17-10-13-7-14(11-17)9-15(8-13)12-17;/h13-15H,3-12H2,1-2H3;1H
InChI Key:
MEXJXXJTWJLDHC-UHFFFAOYSA-N
SMILES:
CCN(CCOC(=O)C12CC3CC(C2)CC(C1)C3)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:
315.197g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.882g/mol
Monoisotopic Mass:
315.197g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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