Home Carboxys 4-(Boc-aminomethyl)pyridine-2-carboxylic acid

4-(Boc-aminomethyl)pyridine-2-carboxylic acid

CAS No.:
260970-57-8
Catalog Number:
AG002RMS
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
>96.0%(T)(HPLC)
1 week
United States
$267
- +
1g
>96.0%(T)(HPLC)
1 week
United States
$1269
- +
Product Description
Catalog Number:
AG002RMS
Chemical Name:
4-(Boc-aminomethyl)pyridine-2-carboxylic acid
CAS Number:
260970-57-8
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD02093452
IUPAC Name:
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-7-8-4-5-13-9(6-8)10(15)16/h4-6H,7H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
BSNYTBOSHJFWQM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccnc(c1)C(=O)O
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties