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1301738-45-3 | Proline, 1-[2-(aminomethyl)phenyl]-, methyl ester
CAS No: 1301738-45-3 Catalog No: AG000U34 MDL No:
Product Description
Catalog Number:
AG000U34
Chemical Name:
Proline, 1-[2-(aminomethyl)phenyl]-, methyl ester
CAS Number:
1301738-45-3
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
IUPAC Name:
methyl 1-[2-(aminomethyl)phenyl]pyrrolidine-2-carboxylate
InChI:
InChI=1S/C13H18N2O2/c1-17-13(16)12-7-4-8-15(12)11-6-3-2-5-10(11)9-14/h2-3,5-6,12H,4,7-9,14H2,1H3
InChI Key:
VIVKLDMTZODPPY-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]1CCCN1c1ccccc1CN
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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