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30121-03-0 | 1-Naphthaleneacetaldehyde,a-[2-(diethylamino)ethyl]-a-(1-methylethyl)-
CAS No: 30121-03-0 Catalog No: AG007JI5 MDL No:
Product Description
Catalog Number:
AG007JI5
Chemical Name:
1-Naphthaleneacetaldehyde,a-[2-(diethylamino)ethyl]-a-(1-methylethyl)-
CAS Number:
30121-03-0
Molecular Formula:
C21H29NO
Molecular Weight:
311.4611
IUPAC Name:
2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-ylbutanal
InChI:
InChI=1S/C21H29NO/c1-5-22(6-2)15-14-21(16-23,17(3)4)20-13-9-11-18-10-7-8-12-19(18)20/h7-13,16-17H,5-6,14-15H2,1-4H3
InChI Key:
JWEUZDWBSXAJKG-UHFFFAOYSA-N
SMILES:
CCN(CCC(c1cccc2c1cccc2)(C(C)C)C=O)CC
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.225g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.469g/mol
Monoisotopic Mass:
311.225g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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