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Home Aminos 6-(Boc-aminomethyl)nicotinic acid

6-(Boc-aminomethyl)nicotinic acid

CAS No.:
170097-87-7
Catalog Number:
AG00HZD7
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$402
- +
1g
97%
1 week
United States
$948
- +
5g
97%
1 week
United States
$2767
- +
Product Description
Catalog Number:
AG00HZD7
Chemical Name:
6-(Boc-aminomethyl)nicotinic acid
CAS Number:
170097-87-7
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD06657532
IUPAC Name:
6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-7-9-5-4-8(6-13-9)10(15)16/h4-6H,7H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
HPTSHEHNJRDROJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccc(cn1)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:
0.9  
Properties