Home Other Building Blocks 4-tert-butyl-1,4-diazepan-2-one

4-tert-butyl-1,4-diazepan-2-one

CAS No.:
46059-74-9
Catalog Number:
AG01B1XD
Molecular Formula:
C9H18N2O
Molecular Weight:
170.2520
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Product Description
Catalog Number:
AG01B1XD
Chemical Name:
4-tert-butyl-1,4-diazepan-2-one
CAS Number:
46059-74-9
Molecular Formula:
C9H18N2O
Molecular Weight:
170.2520
MDL Number:
MFCD24613183
IUPAC Name:
4-tert-butyl-1,4-diazepan-2-one
InChI:
InChI=1S/C9H18N2O/c1-9(2,3)11-6-4-5-10-8(12)7-11/h4-7H2,1-3H3,(H,10,12)
InChI Key:
SXSXBMSPPIHAPQ-UHFFFAOYSA-N
SMILES:
O=C1NCCCN(C1)C(C)(C)C
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.142g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.256g/mol
Monoisotopic Mass:
170.142g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties