Home Halogens 4-{[(2-bromophenyl)methyl]amino}pentan-1-ol

4-{[(2-bromophenyl)methyl]amino}pentan-1-ol

CAS No.:
1520309-63-0
Catalog Number:
AG01AWQQ
Molecular Formula:
C12H18BrNO
Molecular Weight:
272.1814
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Product Description
Catalog Number:
AG01AWQQ
Chemical Name:
4-{[(2-bromophenyl)methyl]amino}pentan-1-ol
CAS Number:
1520309-63-0
Molecular Formula:
C12H18BrNO
Molecular Weight:
272.1814
MDL Number:
MFCD23868324
IUPAC Name:
4-[(2-bromophenyl)methylamino]pentan-1-ol
InChI:
InChI=1S/C12H18BrNO/c1-10(5-4-8-15)14-9-11-6-2-3-7-12(11)13/h2-3,6-7,10,14-15H,4-5,8-9H2,1H3
InChI Key:
YAEZODVAMLHGIH-UHFFFAOYSA-N
SMILES:
OCCCC(NCc1ccccc1Br)C
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.057g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.186g/mol
Monoisotopic Mass:
271.057g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties