<I>N</I>-Methyl-<SC>L</SC>-isoleucine


Chemical Name: <I>N</I>-Methyl-<SC>L</SC>-isoleucine
CAS Number: 4125-98-8
Product Number: AG00BZTD(AGN-PC-0WAG1O)
Synonyms:
MDL No:
Molecular Formula: C7H16ClNO2
Molecular Weight: 181.6604

Identification/Properties


Computed Properties
Molecular Weight:
145.202g/mol
XLogP3:
-1.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
145.11g/mol
Monoisotopic Mass:
145.11g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
114
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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