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85466-98-4 | Pentanamide, 2-amino-5-[(aminoiminomethyl)amino]-, (S)-, diacetate
CAS No: 85466-98-4 Catalog No: AG004JU1 MDL No:
Product Description
Catalog Number:
AG004JU1
Chemical Name:
Pentanamide, 2-amino-5-[(aminoiminomethyl)amino]-, (S)-, diacetate
CAS Number:
85466-98-4
Molecular Formula:
C10H23N5O5
Molecular Weight:
293.3201
IUPAC Name:
acetic acid;(2S)-2-amino-5-(hydrazinylmethylideneamino)pentanamide
InChI:
InChI=1S/C6H15N5O.2C2H4O2/c7-5(6(8)12)2-1-3-10-4-11-9;2*1-2(3)4/h4-5H,1-3,7,9H2,(H2,8,12)(H,10,11);2*1H3,(H,3,4)/t5-;;/m0../s1
InChI Key:
KSAZADWUSRGKGP-XRIGFGBMSA-N
SMILES:
CC(=O)O.CC(=O)O.NN=CNCCC[C@@H](C(=O)N)N
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
293.17g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
293.324g/mol
Monoisotopic Mass:
293.17g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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