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1883-09-6 | Butanoic acid, 2,4-diamino-, hydrochloride (1:2), (2S)-
CAS No: 1883-09-6 Catalog No: AG002GT7 MDL No:MFCD00064561
Product Description
Catalog Number:
AG002GT7
Chemical Name:
Butanoic acid, 2,4-diamino-, hydrochloride (1:2), (2S)-
CAS Number:
1883-09-6
Molecular Formula:
C4H12Cl2N2O2
Molecular Weight:
191.0563
MDL Number:
MFCD00064561
IUPAC Name:
(2S)-2,4-diaminobutanoic acid;dihydrochloride
InChI:
InChI=1S/C4H10N2O2.2ClH/c5-2-1-3(6)4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H/t3-;;/m0../s1
InChI Key:
CKAAWCHIBBNLOJ-QTNFYWBSSA-N
SMILES:
NCC[C@@H](C(=O)O)N.Cl.Cl
EC Number:
217-542-0
Properties
Complexity:
84.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
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