Home Amines 1212186-90-7
1212186-90-7,MFCD06761921
Catalog No.:AA009IB5
1212186-90-7 | (S)-1-(3,4-DiMethylphenyl)ethanaMine hydrochloride
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100mg
95.0%
3 weeks  
$452.00
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Technical Information
Catalog Number:
AA009IB5
Chemical Name:
(S)-1-(3,4-DiMethylphenyl)ethanaMine hydrochloride
CAS Number:
1212186-90-7
Molecular Formula:
C10H16ClN
Molecular Weight:
185.6937
MDL Number:
MFCD06761921
IUPAC Name:
(1S)-1-(3,4-dimethylphenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C10H15N.ClH/c1-7-4-5-10(9(3)11)6-8(7)2;/h4-6,9H,11H2,1-3H3;1H/t9-;/m0./s1
InChI Key:
UQTBJFBMMKGXGS-FVGYRXGTSA-N
SMILES:
C[C@@H](c1ccc(c(c1)C)C)N.Cl
Properties
Computed Properties
 
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
185.097g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
185.695g/mol
Monoisotopic Mass:
185.097g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1212186-90-7 
(S)-1-(3,4-Dimethylphenyl)ethanamine hydrochloride 
ST2401646 
(S)-1-(3,4-Dimethylphenyl)ethanamine HCl 
S-0098 
[(1S)-1-(3,4-dimethylphenyl)ethyl]amine hydrochloride 
(1S)-1-(3,4-Dimethylphenyl)ethan-1-amine--hydrogen chloride (1/1) 
ACN-030823 
(1S)-1-(3,4-dimethylphenyl)ethan-1-amine 
(S)-1-(3,4-DIMETHYLPHENYL)ETHANAMINE-HCl 
DTXSID70704144 
ZX-CM014134 
MFCD12910585 
AKOS015923070 
AK133447 
AB0000793 
AX8254998 
Literature
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