sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4-Benzylaniline

4-Benzylaniline

CAS No.:
1135-12-2
Catalog Number:
AG0008SJ
Molecular Formula:
C13H13N
Molecular Weight:
183.2490
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$35
- +
25g
95%
In Stock USA
United States
$119
- +
100g
95%
In Stock USA
United States
$360
- +
500g
95%
In Stock USA
United States
$1475
- +
Product Description
Catalog Number:
AG0008SJ
Chemical Name:
4-Benzylaniline
CAS Number:
1135-12-2
Molecular Formula:
C13H13N
Molecular Weight:
183.2490
MDL Number:
MFCD00047861
IUPAC Name:
4-benzylaniline
InChI:
InChI=1S/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H2
InChI Key:
WDTRNCFZFQIWLM-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1ccccc1
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.105g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.254g/mol
Monoisotopic Mass:
183.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene. Physical chemistry chemical physics : PCCP 20090114
Properties