Home Aminos 3-Pyridinepropanoic acid, a-amino-, dihydrochloride

3-Pyridinepropanoic acid, a-amino-, dihydrochloride

CAS No.:
105381-95-1
Catalog Number:
AG00922N
Molecular Formula:
C8H12Cl2N2O2
Molecular Weight:
239.0991
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Product Description
Catalog Number:
AG00922N
Chemical Name:
3-Pyridinepropanoic acid, a-amino-, dihydrochloride
CAS Number:
105381-95-1
Molecular Formula:
C8H12Cl2N2O2
Molecular Weight:
239.0991
MDL Number:
MFCD02259525
IUPAC Name:
2-amino-3-pyridin-3-ylpropanoic acid;dihydrochloride
InChI:
InChI=1S/C8H10N2O2.2ClH/c9-7(8(11)12)4-6-2-1-3-10-5-6;;/h1-3,5,7H,4,9H2,(H,11,12);2*1H
InChI Key:
XORPRVNSFLBKBG-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1cccnc1)N.Cl.Cl
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
239.096g/mol
Monoisotopic Mass:
238.028g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties