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164648-58-2 | Carbamic acid, N-[3-(4-pyridinyl)propyl]-, 1,1-dimethylethyl ester
CAS No: 164648-58-2 Catalog No: AG001UZR MDL No:MFCD07366805
Product Description
Catalog Number:
AG001UZR
Chemical Name:
Carbamic acid, N-[3-(4-pyridinyl)propyl]-, 1,1-dimethylethyl ester
CAS Number:
164648-58-2
Molecular Formula:
C13H20N2O2
Molecular Weight:
236.3101
MDL Number:
MFCD07366805
IUPAC Name:
tert-butyl N-(3-pyridin-4-ylpropyl)carbamate
InChI:
InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-8-4-5-11-6-9-14-10-7-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)
InChI Key:
SCIXPCFSIXIGTE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCCc1ccncc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.315g/mol
Monoisotopic Mass:
236.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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