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29527-46-6 | Carbamic acid, [3-(dimethylamino)-1-isopropyl-1-(1-naphthyl)propyl]-, ethyl ester (8CI)
CAS No: 29527-46-6 Catalog No: AG002YN5 MDL No:
Product Description
Catalog Number:
AG002YN5
Chemical Name:
Carbamic acid, [3-(dimethylamino)-1-isopropyl-1-(1-naphthyl)propyl]-, ethyl ester (8CI)
CAS Number:
29527-46-6
Molecular Formula:
C21H30N2O2
Molecular Weight:
342.4751
IUPAC Name:
ethyl N-[1-(dimethylamino)-4-methyl-3-naphthalen-1-ylpentan-3-yl]carbamate
InChI:
InChI=1S/C21H30N2O2/c1-6-25-20(24)22-21(16(2)3,14-15-23(4)5)19-13-9-11-17-10-7-8-12-18(17)19/h7-13,16H,6,14-15H2,1-5H3,(H,22,24)
InChI Key:
HCXNTPCXQXUIGA-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC(c1cccc2c1cccc2)(C(C)C)CCN(C)C
NSC Number:
180687
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.231g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.483g/mol
Monoisotopic Mass:
342.231g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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