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1240390-36-6 | Carbamic acid, N-[(3R,4R)-4-aminotetrahydro-2H-pyran-3-yl]-, 1,1-dimethylethyl ester
CAS No: 1240390-36-6 Catalog No: AG000LFP MDL No:MFCD19105154
Product Description
Catalog Number:
AG000LFP
Chemical Name:
Carbamic acid, N-[(3R,4R)-4-aminotetrahydro-2H-pyran-3-yl]-, 1,1-dimethylethyl ester
CAS Number:
1240390-36-6
Molecular Formula:
C10H20N2O3
Molecular Weight:
216.2774
MDL Number:
MFCD19105154
IUPAC Name:
tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate
InChI:
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-8-6-14-5-4-7(8)11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8+/m1/s1
InChI Key:
FEECMUCDEXAFQK-SFYZADRCSA-N
SMILES:
N[C@@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
216.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.281g/mol
Monoisotopic Mass:
216.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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