3-AMino-azepane-1-carboxylic acid tert-butyl ester


Chemical Name: 3-AMino-azepane-1-carboxylic acid tert-butyl ester
CAS Number: 1032684-85-7
Product Number: AG0032EJ(AGN-PC-0WA82N)
Synonyms:
MDL No: MFCD11041391
Molecular Formula: C11H22N2O2
Molecular Weight: 214.3046

Identification/Properties


Properties
BP:
296.5±33.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
214.309g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
214.168g/mol
Monoisotopic Mass:
214.168g/mol
Topological Polar Surface Area:
55.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
223
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:
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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