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13123-90-5 | Benzenamine, 3-methoxy-N,N-dimethyl-4-[(5-phenylpentyl)oxy]-
CAS No: 13123-90-5 Catalog No: AG000VRQ MDL No:
Product Description
Catalog Number:
AG000VRQ
Chemical Name:
Benzenamine, 3-methoxy-N,N-dimethyl-4-[(5-phenylpentyl)oxy]-
CAS Number:
13123-90-5
Molecular Formula:
C20H27NO2
Molecular Weight:
313.4339
IUPAC Name:
3-methoxy-N,N-dimethyl-4-(5-phenylpentoxy)aniline
InChI:
InChI=1S/C20H27NO2/c1-21(2)18-13-14-19(20(16-18)22-3)23-15-9-5-8-12-17-10-6-4-7-11-17/h4,6-7,10-11,13-14,16H,5,8-9,12,15H2,1-3H3
InChI Key:
BELYAURMVSGIAD-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCCCCCc1ccccc1)N(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.204g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.441g/mol
Monoisotopic Mass:
313.204g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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