Home Amines 658683-12-6
658683-12-6,MFCD12913677
Catalog No.:AA00FGE9
658683-12-6 | 2-(1-Amino-ethyl)-benzoic acid hydrochloride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97.0%
1 week  
$576.00   $403.00
- +
1g
97.0%
1 week  
$1,249.00   $874.00
- +
5g
97.0%
1 week  
$3,450.00   $2,415.00
- +
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Technical Information
Catalog Number:
AA00FGE9
Chemical Name:
2-(1-Amino-ethyl)-benzoic acid hydrochloride
CAS Number:
658683-12-6
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
MDL Number:
MFCD12913677
IUPAC Name:
2-(1-aminoethyl)benzoic acid;hydrochloride
InChI:
InChI=1S/C9H11NO2.ClH/c1-6(10)7-4-2-3-5-8(7)9(11)12;/h2-6H,10H2,1H3,(H,11,12);1H
InChI Key:
GEYYPUHNSHAXET-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(N)C.Cl
Properties
Computed Properties
 
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
201.65g/mol
Monoisotopic Mass:
201.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Synonyms
 
658683-12-6 
2-(1-Aminoethyl)benzoic acid hydrochloride 
2-(1-aminoethyl)benzoic acid;hydrochloride 
AX8291015 
Z-6592 
2-(1-Aminoethyl)benzoic acid--hydrogen chloride (1/1) 
2-(1-Amino-ethyl)-benzoic acid hydrochloride, AldrichCPR 
C9H11NO2.HCl 
(R)-2-(1-Amino-ethyl)-benzoic acid hydrochloride 
1391433-88-7 
2-(1-AMINO-ETHYL)-BENZOIC ACID HYDROCHLORIDE 
2-(1-Aminoethyl)benzoic acid HCl 
SCHEMBL6093184 
DTXSID30695842 
9995AH 
MFCD12913677 
AK156779 
AS-55132 
Literature
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