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2-amino-4-{[amino(nitroso)methyl]amino}butanoic acid; bis(acetic acid)

2-amino-4-{[amino(nitroso)methyl]amino}butanoic acid; bis(acetic acid)

CAS: 1140844-63-8

Formula: C9H20N4O7

SMILES: CC(O)=O.CC(O)=O.NC(NCCC(N)C(O)=O)N=O

IUPAC: 2-amino-4-{[amino(nitroso)methyl]amino}butanoic acid; bis(acetic acid)

InChI: InChI=1/C5H12N4O3.2C2H4O2/c6-3(4(10)11)1-2-8-5(7)9-12;2*1-2(3)4/h3,5,8H,1-2,6-7H2,(H,10,11);2*1H3,(H,3,4)

Composition: C (36.49%), H (6.80%), N (18.91%), O (37.80%)

Molar Mass: 296.28

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 296.133199
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey TYWYCWDSGNNGCG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.4
Topological Polar Surface Area 130.8
Polarizability 16.22
Ring Count 0
Rotatable Bond Count 6

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Purity LeadTime CAS UnitPrice
98% <10 Days 1140844-63-8 Quote Only