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29473-92-5 | Carbamic acid, [2-[2-(diethylamino)ethyl]-3-methyl-2-(1-naphthyl)pentyl]-, ethyl ester (8CI)
CAS No: 29473-92-5 Catalog No: AG002YHO MDL No:
Product Description
Catalog Number:
AG002YHO
Chemical Name:
Carbamic acid, [2-[2-(diethylamino)ethyl]-3-methyl-2-(1-naphthyl)pentyl]-, ethyl ester (8CI)
CAS Number:
29473-92-5
Molecular Formula:
C25H38N2O2
Molecular Weight:
398.5814
IUPAC Name:
ethyl N-[2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentyl]carbamate
InChI:
InChI=1S/C25H38N2O2/c1-6-20(5)25(17-18-27(7-2)8-3,19-26-24(28)29-9-4)23-16-12-14-21-13-10-11-15-22(21)23/h10-16,20H,6-9,17-19H2,1-5H3,(H,26,28)
InChI Key:
VDGUUAKLUHIKJC-UHFFFAOYSA-N
SMILES:
CCOC(=O)NCC(c1cccc2c1cccc2)(C(CC)C)CCN(CC)CC
NSC Number:
180638
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.293g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.591g/mol
Monoisotopic Mass:
398.293g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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