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1260821-07-5 | Carbamic acid, N-[3-(2-hydroxyethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1260821-07-5 Catalog No: AG000REJ MDL No:
Product Description
Catalog Number:
AG000REJ
Chemical Name:
Carbamic acid, N-[3-(2-hydroxyethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1260821-07-5
Molecular Formula:
C12H18N2O3
Molecular Weight:
238.2829
IUPAC Name:
tert-butyl N-[3-(2-hydroxyethyl)pyridin-2-yl]carbamate
InChI:
InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-10-9(6-8-15)5-4-7-13-10/h4-5,7,15H,6,8H2,1-3H3,(H,13,14,16)
InChI Key:
LVSZZEJVTMQXCS-UHFFFAOYSA-N
SMILES:
OCCc1cccnc1NC(=O)OC(C)(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.287g/mol
Monoisotopic Mass:
238.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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