Home Aminos 2-amino-2-methyl-3-(1H-1,2,4-triazol-1-yl)propanoic acid dihydrochloride

2-amino-2-methyl-3-(1H-1,2,4-triazol-1-yl)propanoic acid dihydrochloride

CAS No.:
1461706-20-6
Catalog Number:
AG01ABTU
Molecular Formula:
C6H12Cl2N4O2
Molecular Weight:
243.0911
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Product Description
Catalog Number:
AG01ABTU
Chemical Name:
2-amino-2-methyl-3-(1H-1,2,4-triazol-1-yl)propanoic acid dihydrochloride
CAS Number:
1461706-20-6
Molecular Formula:
C6H12Cl2N4O2
Molecular Weight:
243.0911
MDL Number:
MFCD26407736
IUPAC Name:
2-amino-2-methyl-3-(1,2,4-triazol-1-yl)propanoic acid;dihydrochloride
InChI:
InChI=1S/C6H10N4O2.2ClH/c1-6(7,5(11)12)2-10-4-8-3-9-10;;/h3-4H,2,7H2,1H3,(H,11,12);2*1H
InChI Key:
BZOSAZGJOBKHMQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cn1ncnc1)(N)C.Cl.Cl
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.034g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
243.088g/mol
Monoisotopic Mass:
242.034g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties