Home Aminos 2-[(pyridin-3-ylmethyl)amino]propanoic acid dihydrochloride

2-[(pyridin-3-ylmethyl)amino]propanoic acid dihydrochloride

CAS No.:
1396962-67-6
Catalog Number:
AG019UNS
Molecular Formula:
C9H14Cl2N2O2
Molecular Weight:
253.1257
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Product Description
Catalog Number:
AG019UNS
Chemical Name:
2-[(pyridin-3-ylmethyl)amino]propanoic acid dihydrochloride
CAS Number:
1396962-67-6
Molecular Formula:
C9H14Cl2N2O2
Molecular Weight:
253.1257
MDL Number:
MFCD11857884
IUPAC Name:
2-(pyridin-3-ylmethylamino)propanoic acid;dihydrochloride
InChI:
InChI=1S/C9H12N2O2.2ClH/c1-7(9(12)13)11-6-8-3-2-4-10-5-8;;/h2-5,7,11H,6H2,1H3,(H,12,13);2*1H
InChI Key:
DHHBAIPCAQDYQG-UHFFFAOYSA-N
SMILES:
OC(=O)C(NCc1cccnc1)C.Cl.Cl
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.043g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
253.123g/mol
Monoisotopic Mass:
252.043g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties