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100955-81-5 | Benzenemethanamine, 3-methoxy-4-(phenylmethoxy)-, hydrochloride (1:1)
CAS No: 100955-81-5 Catalog No: AG0003AV MDL No:MFCD00195619
Product Description
Catalog Number:
AG0003AV
Chemical Name:
Benzenemethanamine, 3-methoxy-4-(phenylmethoxy)-, hydrochloride (1:1)
CAS Number:
100955-81-5
Molecular Formula:
C15H18ClNO2
Molecular Weight:
279.7619
MDL Number:
MFCD00195619
IUPAC Name:
(3-methoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
InChI:
InChI=1S/C15H17NO2.ClH/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12;/h2-9H,10-11,16H2,1H3;1H
InChI Key:
VTTGLJYCZBMHLV-UHFFFAOYSA-N
SMILES:
COc1cc(CN)ccc1OCc1ccccc1.Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.764g/mol
Monoisotopic Mass:
279.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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