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Home Halogens Benzenemethanamine,N-butyl-4-chloro-, hydrochloride (1:1)

Benzenemethanamine,N-butyl-4-chloro-, hydrochloride (1:1)

CAS No.:
2298-58-0
Catalog Number:
AG007P4K
Molecular Formula:
C11H16ClN
Molecular Weight:
197.7044
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG007P4K
Chemical Name:
Benzenemethanamine,N-butyl-4-chloro-, hydrochloride (1:1)
CAS Number:
2298-58-0
Molecular Formula:
C11H16ClN
Molecular Weight:
197.7044
MDL Number:
MFCD07105375
IUPAC Name:
N-[(4-chlorophenyl)methyl]butan-1-amine;hydrochloride
InChI:
InChI=1S/C11H16ClN.ClH/c1-2-3-8-13-9-10-4-6-11(12)7-5-10;/h4-7,13H,2-3,8-9H2,1H3;1H
InChI Key:
VWHFPDVABWQZDR-UHFFFAOYSA-N
SMILES:
CCCCc1cc(Cl)ccc1CN
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.164g/mol
Monoisotopic Mass:
233.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Benzylamines: synthesis and evaluation of antimycobacterial properties. Journal of medicinal chemistry 19840901
Properties