Home Halogens (3,4-Dichlorophenyl)methanamine

(3,4-Dichlorophenyl)methanamine

CAS No.:
102-49-8
Catalog Number:
AG00068M
Molecular Formula:
C7H7Cl2N
Molecular Weight:
176.0432
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$23
- +
100g
97%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG00068M
Chemical Name:
(3,4-Dichlorophenyl)methanamine
CAS Number:
102-49-8
Molecular Formula:
C7H7Cl2N
Molecular Weight:
176.0432
MDL Number:
MFCD00008114
IUPAC Name:
(3,4-dichlorophenyl)methanamine
InChI:
InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChI Key:
IXHNFOOSLAWRBQ-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)Cl)Cl
EC Number:
203-035-1
NSC Number:
25065
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.996g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.04g/mol
Monoisotopic Mass:
174.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Benzylamines: synthesis and evaluation of antimycobacterial properties. Journal of medicinal chemistry 19840901
Properties