Home Other Building Blocks tert-butyl 2-(azepan-4-yl)acetate

tert-butyl 2-(azepan-4-yl)acetate

CAS No.:
1864053-28-0
Catalog Number:
AG01BAMB
Molecular Formula:
C12H23NO2
Molecular Weight:
213.3165
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Product Description
Catalog Number:
AG01BAMB
Chemical Name:
tert-butyl 2-(azepan-4-yl)acetate
CAS Number:
1864053-28-0
Molecular Formula:
C12H23NO2
Molecular Weight:
213.3165
MDL Number:
MFCD29033755
IUPAC Name:
tert-butyl 2-(azepan-4-yl)acetate
InChI:
InChI=1S/C12H23NO2/c1-12(2,3)15-11(14)9-10-5-4-7-13-8-6-10/h10,13H,4-9H2,1-3H3
InChI Key:
JIKUZTNTAQWSLL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CC1CCNCCC1
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.173g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.321g/mol
Monoisotopic Mass:
213.173g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties