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162955-48-8 | Carbamic acid, N-[(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, 1,1-dimethylethyl ester
CAS No: 162955-48-8 Catalog No: AG001TKK MDL No:MFCD03093945
Product Description
Catalog Number:
AG001TKK
Chemical Name:
Carbamic acid, N-[(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, 1,1-dimethylethyl ester
CAS Number:
162955-48-8
Molecular Formula:
C10H21NO4
Molecular Weight:
219.2780
MDL Number:
MFCD03093945
IUPAC Name:
tert-butyl N-[(2S)-1,5-dihydroxypentan-2-yl]carbamate
InChI:
InChI=1S/C10H21NO4/c1-10(2,3)15-9(14)11-8(7-13)5-4-6-12/h8,12-13H,4-7H2,1-3H3,(H,11,14)/t8-/m0/s1
InChI Key:
UBNNKNSFDFANKW-QMMMGPOBSA-N
SMILES:
OCCC[C@H](NC(=O)OC(C)(C)C)CO
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
219.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.281g/mol
Monoisotopic Mass:
219.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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