Carbamic acid, [(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-,1,1-dimethylethyl ester


Chemical Name: Carbamic acid, [(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-,1,1-dimethylethyl ester
CAS Number: 82689-19-8
Product Number: AG003OHK(AGN-PC-0UMTNJ)
Synonyms:
MDL No: MFCD00235953
Molecular Formula: C16H22N2O3
Molecular Weight: 290.3575

Identification/Properties


Properties
MP:
118-122 °C(lit.)
BP:
518.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
290.363g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
290.163g/mol
Monoisotopic Mass:
290.163g/mol
Topological Polar Surface Area:
74.4A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
354
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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