Home Carboxys tert-butyl 4-(methylamino)azepane-1-carboxylate

tert-butyl 4-(methylamino)azepane-1-carboxylate

CAS No.:
878630-92-3
Catalog Number:
AG01AGFQ
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
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Product Description
Catalog Number:
AG01AGFQ
Chemical Name:
tert-butyl 4-(methylamino)azepane-1-carboxylate
CAS Number:
878630-92-3
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
MDL Number:
MFCD16293662
IUPAC Name:
tert-butyl 4-(methylamino)azepane-1-carboxylate
InChI:
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-5-6-10(13-4)7-9-14/h10,13H,5-9H2,1-4H3
InChI Key:
JMDRWRUSBCUXJG-UHFFFAOYSA-N
SMILES:
CNC1CCCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.184g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties