Home Nitros Benzenamine, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N,N-bis(2-methylpropyl)-2-nitro-

Benzenamine, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N,N-bis(2-methylpropyl)-2-nitro-

CAS No.:
1629125-73-0
Catalog Number:
AG00ABR0
Molecular Formula:
C19H31BN2O4
Molecular Weight:
362.2714
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Product Description
Catalog Number:
AG00ABR0
Chemical Name:
Benzenamine, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N,N-bis(2-methylpropyl)-2-nitro-
CAS Number:
1629125-73-0
Molecular Formula:
C19H31BN2O4
Molecular Weight:
362.2714
MDL Number:
MFCD29924761
IUPAC Name:
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N,N-bis(2-methylpropyl)-2-nitroaniline
InChI:
InChI=1S/C19H31BN2O4/c1-14(2)10-21(11-15(3)4)17-8-7-16(9-18(17)22(23)24)20-25-12-19(5,6)13-26-20/h7-9,14-15H,10-13H2,1-6H3
InChI Key:
WLYLKNBRNHAUTO-UHFFFAOYSA-N
SMILES:
CC(CN(c1ccc(cc1[N+](=O)[O-])B1OCC(CO1)(C)C)CC(C)C)C
Properties
Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.238g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.277g/mol
Monoisotopic Mass:
362.238g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties