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

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

CAS No.:
1038236-95-1
Catalog Number:
AG01B0AP
Molecular Formula:
C11H16BrNO
Molecular Weight:
258.1548
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Product Description
Catalog Number:
AG01B0AP
Chemical Name:
2-{[(2-bromophenyl)methyl]amino}butan-1-ol
CAS Number:
1038236-95-1
Molecular Formula:
C11H16BrNO
Molecular Weight:
258.1548
MDL Number:
MFCD11163843
IUPAC Name:
2-[(2-bromophenyl)methylamino]butan-1-ol
InChI:
InChI=1S/C11H16BrNO/c1-2-10(8-14)13-7-9-5-3-4-6-11(9)12/h3-6,10,13-14H,2,7-8H2,1H3
InChI Key:
CCLKOJUWZWDMPE-UHFFFAOYSA-N
SMILES:
CCC(NCc1ccccc1Br)CO
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.042g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.159g/mol
Monoisotopic Mass:
257.042g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties