3-Pyrrolidinecarboxylic acid, 1-(phenylmethyl)-


Chemical Name: 3-Pyrrolidinecarboxylic acid, 1-(phenylmethyl)-
CAS Number: 5731-18-0
Product Number: AG00IA7O(AGN-PC-0K6A4S)
Synonyms:
MDL No:
Molecular Formula: C12H15NO2
Molecular Weight: 205.253

Identification/Properties


Properties
MP:
106-108℃(Solv: methanol (67-56-1); acetone (67-64-1))
BP:
343.078 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
205.257g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
205.11g/mol
Monoisotopic Mass:
205.11g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
224
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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-H317
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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