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617-27-6,MFCD00013018
Catalog No.:AA0036W0

617-27-6 | Dl-alanine ethyl ester HCl

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
98%
in stock  
$19.00   $14.00
- +
500g
98%
in stock  
$174.00   $122.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0036W0
Chemical Name:
Dl-alanine ethyl ester HCl
CAS Number:
617-27-6
Molecular Formula:
C5H12ClNO2
Molecular Weight:
153.6073
MDL Number:
MFCD00013018
SMILES:
CCOC(=O)C(N)C.Cl
Properties
Properties
 
Form:
Solid  
MP:
85-87 °C(lit.)  
Stability:
Hygroscopic  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
82.5  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  

Upstream Synthesis Route

[1]JournaloftheChemicalSociety,PerkinTransactions2:PhysicalOrganicChemistry(1972-1999),1994,#7,p.1455-1462

[2]DaltonTransactions,2008,#13,p.1689-1697

[3]Polyhedron,2014,vol.67,p.520-528

[4]ScientiaPharmaceutica,2001,vol.69,#4,p.329-350

[5]BioorganicandMedicinalChemistry,2009,vol.17,#6,p.2336-2350

[6]ChineseJournalofChemistry,2011,vol.29,#5,p.1011-1016

[7]AngewandteChemie,InternationalEdition,2015,vol.54,#1,p.179-183

[8]AngewandteChemie,2015,vol.127,#1,p.181-185,5

[1]Patent:US4361439,1982,A,

[1]Synthesis,1982,#11,p.922-924

[1]Synthesis,1985,#2,p.202-204

[1]Synthesis,1985,#2,p.202-204

Downstream Synthesis Route

[1]JustusLiebigsAnnalenderChemie,1962,vol.656,p.22-23

[1]JustusLiebigsAnnalenderChemie,1962,vol.656,p.22-23

[1]JustusLiebigsAnnalenderChemie,1962,vol.651,p.33-42

[1]JustusLiebigsAnnalenderChemie,1962,vol.656,p.22-23

[1]Journalofmedicinalchemistry,1972,vol.15,p.13-16

Literature
Quotation Request
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SDS
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Tags:617-27-6 Molecular Formula|617-27-6 MDL|617-27-6 SMILES|617-27-6 Dl-alanine ethyl ester HCl
Catalog No.: AA0036W0
617-27-6,MFCD00013018
617-27-6 | Dl-alanine ethyl ester HCl
Pack Size： 25g
Purity： 98%
in stock
$19.00 $14.00
Pack Size： 500g
Purity： 98%
in stock
$174.00 $122.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA0036W0
Chemical Name: Dl-alanine ethyl ester HCl
CAS Number: 617-27-6
Molecular Formula: C5H12ClNO2
Molecular Weight: 153.6073
MDL Number: MFCD00013018
SMILES: CCOC(=O)C(N)C.Cl
Properties
Form: Solid  
MP: 85-87 °C(lit.)  
Stability: Hygroscopic  
Storage: Inert atmosphere;2-8℃;  
Complexity: 82.5  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
Upstream Synthesis Route
64-17-5    302-72-7    617-27-6 

[1]JournaloftheChemicalSociety,PerkinTransactions2:PhysicalOrganicChemistry(1972-1999),1994,#7,p.1455-1462

[2]DaltonTransactions,2008,#13,p.1689-1697

[3]Polyhedron,2014,vol.67,p.520-528

[4]ScientiaPharmaceutica,2001,vol.69,#4,p.329-350

[5]BioorganicandMedicinalChemistry,2009,vol.17,#6,p.2336-2350

[6]ChineseJournalofChemistry,2011,vol.29,#5,p.1011-1016

[7]AngewandteChemie,InternationalEdition,2015,vol.54,#1,p.179-183

[8]AngewandteChemie,2015,vol.127,#1,p.181-185,5

302-72-7    617-27-6 

[1]Patent:US4361439,1982,A,

85231-99-8    617-27-6 

[1]Synthesis,1982,#11,p.922-924

535-11-5    617-27-6 

[1]Synthesis,1985,#2,p.202-204

71754-74-0    617-27-6 

[1]Synthesis,1985,#2,p.202-204

Downstream Synthesis Route
5577-66-2    617-27-6    7750-37-0 

[1]JustusLiebigsAnnalenderChemie,1962,vol.656,p.22-23

17940-18-0    617-27-6    18023-62-6 

[1]JustusLiebigsAnnalenderChemie,1962,vol.656,p.22-23

1633-84-7    617-27-6    90645-05-9 

[1]JustusLiebigsAnnalenderChemie,1962,vol.651,p.33-42

17082-50-7    617-27-6    17962-15-1 

[1]JustusLiebigsAnnalenderChemie,1962,vol.656,p.22-23

617-27-6    27486-88-0    35959-75-2 

[1]Journalofmedicinalchemistry,1972,vol.15,p.13-16

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