1-Pyrrolidinecarboxylicacid, 3-cyano-, phenylmethyl ester, (3R)-


Chemical Name: 1-Pyrrolidinecarboxylicacid, 3-cyano-, phenylmethyl ester, (3R)-
CAS Number: 329012-80-8
Product Number: AG003C82(AGN-PC-0R89RS)
Synonyms:
MDL No: MFCD08704694
Molecular Formula: C13H14N2O2
Molecular Weight: 230.2625

Identification/Properties


Properties
BP:
403.6±45.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
230.267g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
230.106g/mol
Monoisotopic Mass:
230.106g/mol
Topological Polar Surface Area:
53.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
315
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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