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146552-71-8 | Carbamic acid, N-[(1S)-2-amino-1-methylethyl]-, 1,1-dimethylethyl ester
CAS No: 146552-71-8 Catalog No: AG001E56 MDL No:MFCD08726031
Product Description
Catalog Number:
AG001E56
Chemical Name:
Carbamic acid, N-[(1S)-2-amino-1-methylethyl]-, 1,1-dimethylethyl ester
CAS Number:
146552-71-8
Molecular Formula:
C8H18N2O2
Molecular Weight:
174.2407
MDL Number:
MFCD08726031
IUPAC Name:
tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate
InChI:
InChI=1S/C8H18N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m0/s1
InChI Key:
JQXZBJAAOLPTKP-LURJTMIESA-N
SMILES:
NC[C@@H](NC(=O)OC(C)(C)C)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
174.137g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.244g/mol
Monoisotopic Mass:
174.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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