tert-butyl 1,4-diazepane-1-carboxylate;hydrochloride


Chemical Name: tert-butyl 1,4-diazepane-1-carboxylate;hydrochloride
CAS Number: 1049743-87-4
Product Number: AG008XDU(AGN-PC-0KKKTT)
Synonyms:
MDL No:
Molecular Formula: C10H21ClN2O2
Molecular Weight: 236.7389

Identification/Properties


Computed Properties
Molecular Weight:
236.74g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
236.129g/mol
Monoisotopic Mass:
236.129g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
199
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


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

NMR Spectrum


Other Analytical Data


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