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214472-06-7 | 4-[(tert-Butoxycarbonylamino)methyl]-2-cyanopyridine
CAS No: 214472-06-7 Catalog No: AG003KKR MDL No:MFCD02093453
Product Description
Catalog Number:
AG003KKR
Chemical Name:
4-[(tert-Butoxycarbonylamino)methyl]-2-cyanopyridine
CAS Number:
214472-06-7
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
MDL Number:
MFCD02093453
IUPAC Name:
tert-butyl N-[(2-cyanopyridin-4-yl)methyl]carbamate
InChI:
InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-8-9-4-5-14-10(6-9)7-13/h4-6H,8H2,1-3H3,(H,15,16)
InChI Key:
RVMVGHFPBFHBTD-UHFFFAOYSA-N
SMILES:
N#Cc1nccc(c1)CNC(=O)OC(C)(C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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