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869949-43-9 | (3-BROMOBENZYL)ISOBUTYLAMINE
CAS No: 869949-43-9 Catalog No: AG004HD4 MDL No:MFCD04482541
Product Description
Catalog Number:
AG004HD4
Chemical Name:
(3-BROMOBENZYL)ISOBUTYLAMINE
CAS Number:
869949-43-9
Molecular Formula:
C11H16BrN
Molecular Weight:
242.1554
MDL Number:
MFCD04482541
IUPAC Name:
N-[(3-bromophenyl)methyl]-2-methylpropan-1-amine
InChI:
InChI=1S/C11H16BrN/c1-9(2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3
InChI Key:
OZSYRXACIOOTAA-UHFFFAOYSA-N
SMILES:
CC(CNCc1cccc(c1)Br)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.16g/mol
Monoisotopic Mass:
241.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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