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102677-73-6 | Benzenemethanamine, 5-amino-2-methoxy-, hydrochloride (1:2)
CAS No: 102677-73-6 Catalog No: AG00082H MDL No:MFCD03424318
Product Description
Catalog Number:
AG00082H
Chemical Name:
Benzenemethanamine, 5-amino-2-methoxy-, hydrochloride (1:2)
CAS Number:
102677-73-6
Molecular Formula:
C8H14Cl2N2O
Molecular Weight:
225.1156
MDL Number:
MFCD03424318
IUPAC Name:
3-(aminomethyl)-4-methoxyaniline;dihydrochloride
InChI:
InChI=1S/C8H12N2O.2ClH/c1-11-8-3-2-7(10)4-6(8)5-9;;/h2-4H,5,9-10H2,1H3;2*1H
InChI Key:
VVODDXYISDPIKT-UHFFFAOYSA-N
SMILES:
NCc1cc(N)ccc1OC.Cl.Cl
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
225.113g/mol
Monoisotopic Mass:
224.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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