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291758-32-2 | Butanoic acid, 2-amino-4-[[(hydroxyamino)iminomethyl]amino]-, hydrochloride (1:2), (2S)-
CAS No: 291758-32-2 Catalog No: AG002XKG MDL No:MFCD04036978
Product Description
Catalog Number:
AG002XKG
Chemical Name:
Butanoic acid, 2-amino-4-[[(hydroxyamino)iminomethyl]amino]-, hydrochloride (1:2), (2S)-
CAS Number:
291758-32-2
Molecular Formula:
C5H14Cl2N4O3
Molecular Weight:
249.0957
MDL Number:
MFCD04036978
IUPAC Name:
(2S)-2-amino-4-[[amino-(hydroxyamino)methylidene]amino]butanoic acid
InChI:
InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
InChI Key:
KOBHCUDVWOTEKO-VKHMYHEASA-N
SMILES:
ONN=CNCC[C@@H](C(=O)O)N.Cl.Cl
UNII:
U0F1149OFR
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
176.091g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
176.176g/mol
Monoisotopic Mass:
176.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.6
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