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Home > Pyridines > 1217830-70-0
1217830-70-0 | (S)-alpha-(3-pyridinylmethyl)-proline-2HCl
CAS No: 1217830-70-0 Catalog No: AG00HGF0 MDL No:MFCD06659377
Product Description
Catalog Number:
AG00HGF0
Chemical Name:
(S)-alpha-(3-pyridinylmethyl)-proline-2HCl
CAS Number:
1217830-70-0
Molecular Formula:
C11H16Cl2N2O2
Molecular Weight:
279.1629
MDL Number:
MFCD06659377
IUPAC Name:
(2S)-2-(pyridin-3-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C11H14N2O2.2ClH/c14-10(15)11(4-2-6-13-11)7-9-3-1-5-12-8-9;;/h1,3,5,8,13H,2,4,6-7H2,(H,14,15);2*1H/t11-;;/m0../s1
InChI Key:
QDRDSHUHXUYTRA-IDMXKUIJSA-N
SMILES:
OC(=O)[C@]1(CCCN1)Cc1cccnc1.Cl.Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
278.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
279.161g/mol
Monoisotopic Mass:
278.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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