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198493-28-6 | Carbamic acid, N-[(1R)-1-(cyanomethyl)propyl]-, 1,1-dimethylethyl ester
CAS No: 198493-28-6 Catalog No: AG002BKC MDL No:
Product Description
Catalog Number:
AG002BKC
Chemical Name:
Carbamic acid, N-[(1R)-1-(cyanomethyl)propyl]-, 1,1-dimethylethyl ester
CAS Number:
198493-28-6
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.2621
IUPAC Name:
tert-butyl N-[(2R)-1-cyanobutan-2-yl]carbamate
InChI:
InChI=1S/C10H18N2O2/c1-5-8(6-7-11)12-9(13)14-10(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)/t8-/m1/s1
InChI Key:
ZOYXDRDJRPCCTD-MRVPVSSYSA-N
SMILES:
CC[C@@H](NC(=O)OC(C)(C)C)CC#N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
198.137g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.266g/mol
Monoisotopic Mass:
198.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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