Home Amines 1049758-08-8
1049758-08-8,MFCD07841705
Catalog No.:AA019P95
1049758-08-8 | propan-2-yl 3-amino-3-(2-chlorophenyl)propanoate hydrochloride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$184.00
- +
250mg
95.0%
3 weeks  
$250.00
- +
  • Technical Information
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  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA019P95
Chemical Name:
propan-2-yl 3-amino-3-(2-chlorophenyl)propanoate hydrochloride
CAS Number:
1049758-08-8
Molecular Formula:
C12H17Cl2NO2
Molecular Weight:
278.1749
MDL Number:
MFCD07841705
IUPAC Name:
propan-2-yl 3-amino-3-(2-chlorophenyl)propanoate;hydrochloride
InChI:
InChI=1S/C12H16ClNO2.ClH/c1-8(2)16-12(15)7-11(14)9-5-3-4-6-10(9)13;/h3-6,8,11H,7,14H2,1-2H3;1H
InChI Key:
FAPLQXHEOWZNOQ-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CC(c1ccccc1Cl)N)C.Cl
Properties
Computed Properties
 
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
278.173g/mol
Monoisotopic Mass:
277.064g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Synonyms
 
propan-2-yl 3-amino-3-(2-chlorophenyl)propanoate hydrochloride 
1049758-08-8 
isopropyl 3-amino-3-(2-chlorophenyl)propanoate hydrochloride 
CTK6B0578 
AC1Q3950 
AKOS033518583 
MCULE-1853191180 
NE58036 
EN300-23153 
Z166630956 
Literature
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