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1146648-86-3

1146648-86-3 | 4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexan-1-ol hydrochloride

CAS No: 1146648-86-3 Catalog No: AG01FMI5 MDL No:MFCD01102901

Product Description

Catalog Number:
AG01FMI5
Chemical Name:
4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexan-1-ol hydrochloride
CAS Number:
1146648-86-3
Molecular Formula:
C13H19Br2ClN2O
Molecular Weight:
414.5638
MDL Number:
MFCD01102901
IUPAC Name:
4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol;hydrochloride
InChI:
InChI=1S/C13H18Br2N2O.ClH/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;/h5-6,10-11,17-18H,1-4,7,16H2;1H
InChI Key:
QNVKOSLOVOTXKF-UHFFFAOYSA-N
SMILES:
OC1CCC(CC1)NCc1cc(Br)cc(c1N)Br.Cl
EC Number:
245-899-2
UNII:
CC995ZMV90
NSC Number:
758224

Properties

Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.953g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
414.566g/mol
Monoisotopic Mass:
411.955g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

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