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1332832-15-1 | Benzenemethanamine, 2-methoxy-α-methyl-, hydrochloride (1:1), (αS)-
CAS No: 1332832-15-1 Catalog No: AG0014JC MDL No:MFCD11101243
Product Description
Catalog Number:
AG0014JC
Chemical Name:
Benzenemethanamine, 2-methoxy-α-methyl-, hydrochloride (1:1), (αS)-
CAS Number:
1332832-15-1
Molecular Formula:
C9H14ClNO
Molecular Weight:
187.6666
MDL Number:
MFCD11101243
IUPAC Name:
(1S)-1-(2-methoxyphenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C9H13NO.ClH/c1-7(10)8-5-3-4-6-9(8)11-2;/h3-7H,10H2,1-2H3;1H/t7-;/m0./s1
InChI Key:
NTKNCZHNEDRTEP-FJXQXJEOSA-N
SMILES:
COc1ccccc1[C@@H](N)C.Cl
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
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:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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