2H-Azepin-2-one, 3-aminohexahydro-, (3S)-


Chemical Name: 2H-Azepin-2-one, 3-aminohexahydro-, (3S)-
CAS Number: 21568-87-6
Product Number: AG003CLQ(AGN-PC-0O7VLS)
Synonyms:
MDL No: MFCD00064476
Molecular Formula: C6H12N2O
Molecular Weight: 128.1723

Identification/Properties


Properties
BP:
315.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
128.175g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
128.095g/mol
Monoisotopic Mass:
128.095g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
114
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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