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1242333-49-8 | Carbamic acid, N-[6-(dimethylamino)-3-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1242333-49-8 Catalog No: AG000LPE MDL No:
Product Description
Catalog Number:
AG000LPE
Chemical Name:
Carbamic acid, N-[6-(dimethylamino)-3-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1242333-49-8
Molecular Formula:
C12H19N3O2
Molecular Weight:
237.2982
IUPAC Name:
tert-butyl N-[6-(dimethylamino)pyridin-3-yl]carbamate
InChI:
InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-9-6-7-10(13-8-9)15(4)5/h6-8H,1-5H3,(H,14,16)
InChI Key:
CATKQVZGUKAKNR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(nc1)N(C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.148g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.303g/mol
Monoisotopic Mass:
237.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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