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1158371-88-0 | Benzenemethanamine, 4-bromo-N-cyclohexyl-, hydrochloride (1:1)
CAS No: 1158371-88-0 Catalog No: AG000GX3 MDL No:MFCD07112404
Product Description
Catalog Number:
AG000GX3
Chemical Name:
Benzenemethanamine, 4-bromo-N-cyclohexyl-, hydrochloride (1:1)
CAS Number:
1158371-88-0
Molecular Formula:
C13H19BrClN
Molecular Weight:
304.6537
MDL Number:
MFCD07112404
IUPAC Name:
N-[(4-bromophenyl)methyl]cyclohexanamine;hydrochloride
InChI:
InChI=1S/C13H18BrN.ClH/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13;/h6-9,13,15H,1-5,10H2;1H
InChI Key:
RBWGDOOIQMPBDU-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CNC1CCCCC1.Cl
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.656g/mol
Monoisotopic Mass:
303.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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