Home Carboxys (2S,trans)-6-Benzylpiperazine-2-carboxylic acid

(2S,trans)-6-Benzylpiperazine-2-carboxylic acid

CAS No.:
180285-25-0
Catalog Number:
AG0021V4
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$434
- +
1g
97%
1 week
United States
$1223
- +
Product Description
Catalog Number:
AG0021V4
Chemical Name:
(2S,trans)-6-Benzylpiperazine-2-carboxylic acid
CAS Number:
180285-25-0
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD09800392
IUPAC Name:
1-benzylpiperazine-2-carboxylic acid
InChI:
InChI=1S/C12H16N2O2/c15-12(16)11-8-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,15,16)
InChI Key:
JTSDYZKPLWDUGB-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CNC[C@H](N1)Cc1ccccc1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  
Properties