Home Other Building Blocks tert-butyl N-(azepan-3-ylmethyl)carbamate

tert-butyl N-(azepan-3-ylmethyl)carbamate

CAS No.:
1440960-78-0
Catalog Number:
AG01A22P
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
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Product Description
Catalog Number:
AG01A22P
Chemical Name:
tert-butyl N-(azepan-3-ylmethyl)carbamate
CAS Number:
1440960-78-0
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
MDL Number:
MFCD22395762
IUPAC Name:
tert-butyl N-(azepan-3-ylmethyl)carbamate
InChI:
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-9-10-6-4-5-7-13-8-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChI Key:
COSIGBHYGJGZHZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCCCNC1
Properties
Complexity:
224  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties