Home Carboxys tert-butyl 4-[(pyridin-2-ylmethyl)amino]azepane-1-carboxylate

tert-butyl 4-[(pyridin-2-ylmethyl)amino]azepane-1-carboxylate

CAS No.:
1700205-16-8
Catalog Number:
AG01AGFI
Molecular Formula:
C17H27N3O2
Molecular Weight:
305.4152
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Product Description
Catalog Number:
AG01AGFI
Chemical Name:
tert-butyl 4-[(pyridin-2-ylmethyl)amino]azepane-1-carboxylate
CAS Number:
1700205-16-8
Molecular Formula:
C17H27N3O2
Molecular Weight:
305.4152
MDL Number:
MFCD28012165
IUPAC Name:
tert-butyl 4-(pyridin-2-ylmethylamino)azepane-1-carboxylate
InChI:
InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-11-6-8-14(9-12-20)19-13-15-7-4-5-10-18-15/h4-5,7,10,14,19H,6,8-9,11-13H2,1-3H3
InChI Key:
AXIDLPUTKNXRHE-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(CC1)NCc1ccccn1)OC(C)(C)C
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.21g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
305.422g/mol
Monoisotopic Mass:
305.21g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties