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Home > Bromides > 1152093-60-1
1152093-60-1 | 1H-1,4-Diazepine-1-carboxylic acid, 4-(6-bromo-2-pyridinyl)hexahydro-, 1,1-dimethylethyl ester
CAS No: 1152093-60-1 Catalog No: AG000GGA MDL No:MFCD22373438
Product Description
Catalog Number:
AG000GGA
Chemical Name:
1H-1,4-Diazepine-1-carboxylic acid, 4-(6-bromo-2-pyridinyl)hexahydro-, 1,1-dimethylethyl ester
CAS Number:
1152093-60-1
Molecular Formula:
C15H22BrN3O2
Molecular Weight:
356.2581
MDL Number:
MFCD22373438
IUPAC Name:
tert-butyl 4-(6-bromopyridin-2-yl)-1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-9-5-8-18(10-11-19)13-7-4-6-12(16)17-13/h4,6-7H,5,8-11H2,1-3H3
InChI Key:
WTJNRJLORZEVNB-UHFFFAOYSA-N
SMILES:
Brc1cccc(n1)N1CCCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.264g/mol
Monoisotopic Mass:
355.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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