Home Amines 1134691-04-5
1134691-04-5,MFCD06797873
Catalog No.:AA0008LT
1134691-04-5 | Benzenepropanoic acid, 4-(dimethylamino)-, hydrochloride (1:1)
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1g
95%
in stock  
$112.00   $78.00
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5g
95%
in stock  
$445.00   $312.00
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Technical Information
Catalog Number:
AA0008LT
Chemical Name:
Benzenepropanoic acid, 4-(dimethylamino)-, hydrochloride (1:1)
CAS Number:
1134691-04-5
Molecular Formula:
C11H16ClNO2
Molecular Weight:
229.7032
MDL Number:
MFCD06797873
IUPAC Name:
3-[4-(dimethylamino)phenyl]propanoic acid;hydrochloride
InChI:
InChI=1S/C11H15NO2.ClH/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14;/h3-4,6-7H,5,8H2,1-2H3,(H,13,14);1H
InChI Key:
WYNBFJDEOYTIGZ-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)CCC(=O)O)C.Cl
Properties
Computed Properties
 
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.087g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.704g/mol
Monoisotopic Mass:
229.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1134691-04-5 
3-(4-(Dimethylamino)phenyl)propanoic acid hydrochloride 
AKOS015845825 
MCULE-3604664882 
RTC-066439 
AX8255015 
TC-066439 
3-(4-dimethylaminophenyl)propanoic acid hydrochloride 
3-[4-(Dimethylamino)phenyl]propanoic acid hydrochloride, AldrichCPR 
3-[4-(Dimethylamino)phenyl]propanoic acid--hydrogen chloride (1/1) 
Benzenepropanoic acid, 4-(dimethylamino)-, hydrochloride (1:1) 
C11H16ClNO2 
3-(4-Dimethylamino-phenyl)-propionic acid hydrochloride 
3-(4-(Dimethylamino)phenyl)propanoicacidhydrochloride 
3-(4-DIMETHYLAMINOPHENYL)PROPIONIC ACID HYDROCHLORIDE 
3-(4-Dimethylamino-phenyl)-propionic acidhydrochloride 
3-[4-(Dimethylamino)phenyl]propanoic acid hydrochloride 
CTK6H9716 
DTXSID40641032 
ZX-CM004171 
9039AC 
MFCD06797873 
Literature
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