Home Other Building Blocks (1S)-1-(3,4-dimethoxyphenyl)ethan-1-amine hydrochloride

(1S)-1-(3,4-dimethoxyphenyl)ethan-1-amine hydrochloride

CAS No.:
906528-67-4
Catalog Number:
AG01BHM2
Molecular Formula:
C10H16ClNO2
Molecular Weight:
217.6925
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Product Description
Catalog Number:
AG01BHM2
Chemical Name:
(1S)-1-(3,4-dimethoxyphenyl)ethan-1-amine hydrochloride
CAS Number:
906528-67-4
Molecular Formula:
C10H16ClNO2
Molecular Weight:
217.6925
MDL Number:
MFCD24422996
IUPAC Name:
(1S)-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C10H15NO2.ClH/c1-7(11)8-4-5-9(12-2)10(6-8)13-3;/h4-7H,11H2,1-3H3;1H/t7-;/m0./s1
InChI Key:
PQHFDOBOSKIMTO-FJXQXJEOSA-N
SMILES:
COc1cc(ccc1OC)[C@@H](N)C.Cl
NSC Number:
656571
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
217.087g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.693g/mol
Monoisotopic Mass:
217.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties