Carbamic acid, [(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-, phenylmethylester


Chemical Name: Carbamic acid, [(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-, phenylmethylester
CAS Number: 103478-12-2
Product Number: AG003CLG(AGN-PC-0OSF2Z)
Synonyms:
MDL No: MFCD08060107
Molecular Formula: C14H18N2O3
Molecular Weight: 262.3043

Identification/Properties


Properties
MP:
116℃(Solv: cyclohexane (110-82-7))
BP:
510.1±49.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
262.309g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
262.132g/mol
Monoisotopic Mass:
262.132g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
314
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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