Home Aminos L-Ornithine, N5-[imino(nitroamino)methyl]-, phenylmethyl ester

L-Ornithine, N5-[imino(nitroamino)methyl]-, phenylmethyl ester

CAS No.:
7672-27-7
Catalog Number:
AG00ICRF
Molecular Formula:
C13H19N5O4
Molecular Weight:
309.3211
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Product Description
Catalog Number:
AG00ICRF
Chemical Name:
L-Ornithine, N5-[imino(nitroamino)methyl]-, phenylmethyl ester
CAS Number:
7672-27-7
Molecular Formula:
C13H19N5O4
Molecular Weight:
309.3211
MDL Number:
MFCD00270615
IUPAC Name:
benzyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate
InChI:
InChI=1S/C13H19N5O4/c14-11(7-4-8-16-13(15)17-18(20)21)12(19)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H3,15,16,17)/t11-/m0/s1
InChI Key:
FAJFGLZHUIUNSS-NSHDSACASA-N
SMILES:
N[C@H](C(=O)OCc1ccccc1)CCCNC(=N)N[N+](=O)[O-]
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
309.144g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
309.326g/mol
Monoisotopic Mass:
309.144g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties