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115654-59-6 | Carbamic acid, N-[(1S)-1-cyano-3-methylbutyl]-, 1,1-dimethylethyl ester
CAS No: 115654-59-6 Catalog No: AG000GO9 MDL No:MFCD03094749
Product Description
Catalog Number:
AG000GO9
Chemical Name:
Carbamic acid, N-[(1S)-1-cyano-3-methylbutyl]-, 1,1-dimethylethyl ester
CAS Number:
115654-59-6
Molecular Formula:
C11H20N2O2
Molecular Weight:
212.2887
MDL Number:
MFCD03094749
IUPAC Name:
tert-butyl N-[(1S)-1-cyano-3-methylbutyl]carbamate
InChI:
InChI=1S/C11H20N2O2/c1-8(2)6-9(7-12)13-10(14)15-11(3,4)5/h8-9H,6H2,1-5H3,(H,13,14)/t9-/m0/s1
InChI Key:
ZTELWEIFTFYNJS-VIFPVBQESA-N
SMILES:
N#C[C@@H](NC(=O)OC(C)(C)C)CC(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
212.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.293g/mol
Monoisotopic Mass:
212.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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