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740076-61-3 | Benzenemethanamine,4-ethoxy-3-methoxy-a-methyl-
CAS No: 740076-61-3 Catalog No: AG005A2F MDL No:MFCD05215398
Product Description
Catalog Number:
AG005A2F
Chemical Name:
Benzenemethanamine,4-ethoxy-3-methoxy-a-methyl-
CAS Number:
740076-61-3
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
MDL Number:
MFCD05215398
IUPAC Name:
1-(4-ethoxy-3-methoxyphenyl)ethanamine
InChI:
InChI=1S/C11H17NO2/c1-4-14-10-6-5-9(8(2)12)7-11(10)13-3/h5-8H,4,12H2,1-3H3
InChI Key:
VINGCSGMSKZRIG-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1OC)C(N)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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