Butanoic acid, 4-amino-2-[[(phenylmethoxy)carbonyl]amino]-, (2S)-


Chemical Name: Butanoic acid, 4-amino-2-[[(phenylmethoxy)carbonyl]amino]-, (2S)-
CAS Number: 62234-40-6
Product Number: AG00361O(AGN-PC-0ODO1S)
Synonyms:
MDL No: MFCD00077904
Molecular Formula: C12H16N2O4
Molecular Weight: 252.2664

Identification/Properties


Properties
MP:
194-196 °C
BP:
480.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
252.27g/mol
XLogP3:
-1.8
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
252.111g/mol
Monoisotopic Mass:
252.111g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
277
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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