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142121-48-0 | Carbamic acid, N-[1-(hydroxymethyl)-3-methylbutyl]-, 1,1-dimethylethyl ester
CAS No: 142121-48-0 Catalog No: AG001HTK MDL No:MFCD01883028
Product Description
Catalog Number:
AG001HTK
Chemical Name:
Carbamic acid, N-[1-(hydroxymethyl)-3-methylbutyl]-, 1,1-dimethylethyl ester
CAS Number:
142121-48-0
Molecular Formula:
C11H23NO3
Molecular Weight:
217.3052
MDL Number:
MFCD01883028
IUPAC Name:
tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate
InChI:
InChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)
InChI Key:
LQTMEOSBXTVYRM-UHFFFAOYSA-N
SMILES:
OCC(NC(=O)OC(C)(C)C)CC(C)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.168g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.309g/mol
Monoisotopic Mass:
217.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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