Home Aminos methyl 2-amino-3-(1H-pyrazol-1-yl)propanoate dihydrochloride

methyl 2-amino-3-(1H-pyrazol-1-yl)propanoate dihydrochloride

CAS No.:
105560-99-4
Catalog Number:
AG01EI7J
Molecular Formula:
C7H13Cl2N3O2
Molecular Weight:
242.1030
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Product Description
Catalog Number:
AG01EI7J
Chemical Name:
methyl 2-amino-3-(1H-pyrazol-1-yl)propanoate dihydrochloride
CAS Number:
105560-99-4
Molecular Formula:
C7H13Cl2N3O2
Molecular Weight:
242.1030
IUPAC Name:
methyl 2-amino-3-pyrazol-1-ylpropanoate;dihydrochloride
InChI:
InChI=1S/C7H11N3O2.2ClH/c1-12-7(11)6(8)5-10-4-2-3-9-10;;/h2-4,6H,5,8H2,1H3;2*1H
InChI Key:
VYJYVKKLRJEMQI-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cn1cccn1)N.Cl.Cl
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
242.1g/mol
Monoisotopic Mass:
241.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties