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137442-19-4 | 2-Piperazinecarboxylic acid, 4-(phenylmethyl)-, (2R)-
CAS No: 137442-19-4 Catalog No: AG0013A4 MDL No:
Product Description
Catalog Number:
AG0013A4
Chemical Name:
2-Piperazinecarboxylic acid, 4-(phenylmethyl)-, (2R)-
CAS Number:
137442-19-4
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
(2R)-4-benzylpiperazine-2-carboxylic acid
InChI:
InChI=1S/C12H16N2O2/c15-12(16)11-9-14(7-6-13-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,15,16)/t11-/m1/s1
InChI Key:
RBMNCOYMAYDTOP-LLVKDONJSA-N
SMILES:
OC(=O)[C@@H]1NCCN(C1)Cc1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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