Home Aminos 3,4-diaminobutanoic acid dihydrochloride

3,4-diaminobutanoic acid dihydrochloride

CAS No.:
109754-82-7
Catalog Number:
AG01AI13
Molecular Formula:
C4H12Cl2N2O2
Molecular Weight:
191.0563
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Product Description
Catalog Number:
AG01AI13
Chemical Name:
3,4-diaminobutanoic acid dihydrochloride
CAS Number:
109754-82-7
Molecular Formula:
C4H12Cl2N2O2
Molecular Weight:
191.0563
MDL Number:
MFCD09836079
IUPAC Name:
3,4-diaminobutanoic acid;dihydrochloride
InChI:
InChI=1S/C4H10N2O2.2ClH/c5-2-3(6)1-4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H
InChI Key:
CYSOFTBXTQXELE-UHFFFAOYSA-N
SMILES:
NCC(CC(=O)O)N.Cl.Cl
Properties
Complexity:
84.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.028g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
191.052g/mol
Monoisotopic Mass:
190.028g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties