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2039-54-5 | Benzeneethanamine, 3-methoxy-, hydrochloride (1:1)
CAS No: 2039-54-5 Catalog No: AG00296I MDL No:MFCD00230680
Product Description
Catalog Number:
AG00296I
Chemical Name:
Benzeneethanamine, 3-methoxy-, hydrochloride (1:1)
CAS Number:
2039-54-5
Molecular Formula:
C9H14ClNO
Molecular Weight:
187.6666
MDL Number:
MFCD00230680
IUPAC Name:
2-(3-methoxyphenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C9H13NO.ClH/c1-11-9-4-2-3-8(7-9)5-6-10;/h2-4,7H,5-6,10H2,1H3;1H
InChI Key:
KDRBQDYHPKRFGX-UHFFFAOYSA-N
SMILES:
NCCc1cccc(c1)OC.Cl
EC Number:
218-015-8
UNII:
392QJK5B0N
NSC Number:
99904
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.076g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.667g/mol
Monoisotopic Mass:
187.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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