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14975-30-5 | Pentanamide, 2-amino-5-[(aminoiminomethyl)amino]-, hydrochloride (1:2), (2S)-
CAS No: 14975-30-5 Catalog No: AG001M05 MDL No:MFCD00058286
Product Description
Catalog Number:
AG001M05
Chemical Name:
Pentanamide, 2-amino-5-[(aminoiminomethyl)amino]-, hydrochloride (1:2), (2S)-
CAS Number:
14975-30-5
Molecular Formula:
C6H17Cl2N5O
Molecular Weight:
246.1381
MDL Number:
MFCD00058286
IUPAC Name:
(2S)-2-amino-5-(diaminomethylideneamino)pentanamide;dihydrochloride
InChI:
InChI=1S/C6H15N5O.2ClH/c7-4(5(8)12)2-1-3-11-6(9)10;;/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11);2*1H/t4-;;/m0../s1
InChI Key:
LYMQLFYWIDCFLC-FHNDMYTFSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N)N.Cl.Cl
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
246.136g/mol
Monoisotopic Mass:
245.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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