1-Pyrrolidinecarboxylic acid, 2-cyano-, phenylmethyl ester, (2S)-


Chemical Name: 1-Pyrrolidinecarboxylic acid, 2-cyano-, phenylmethyl ester, (2S)-
CAS Number: 63808-36-6
Product Number: AG00EAPX(AGN-PC-0OEEQV)
Synonyms:
MDL No:
Molecular Formula: C13H14N2O2
Molecular Weight: 230.26246

Identification/Properties


Properties
MP:
37-39℃
BP:
403.618 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
230.267g/mol
XLogP3:
1.9
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+H312+H332-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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