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1313279-47-8 | Carbamic acid, N-[trans-4-(cyanomethyl)cyclohexyl]-, 1,1-dimethylethyl ester
CAS No: 1313279-47-8 Catalog No: AG000VXG MDL No:
Product Description
Catalog Number:
AG000VXG
Chemical Name:
Carbamic acid, N-[trans-4-(cyanomethyl)cyclohexyl]-, 1,1-dimethylethyl ester
CAS Number:
1313279-47-8
Molecular Formula:
C13H22N2O2
Molecular Weight:
238.3260
IUPAC Name:
tert-butyl N-[4-(cyanomethyl)cyclohexyl]carbamate
InChI:
InChI=1S/C13H22N2O2/c1-13(2,3)17-12(16)15-11-6-4-10(5-7-11)8-9-14/h10-11H,4-8H2,1-3H3,(H,15,16)
InChI Key:
FIWFOACIVWBZSW-UHFFFAOYSA-N
SMILES:
N#CC[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.331g/mol
Monoisotopic Mass:
238.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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