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

4-Ethynylaniline

CAS No.:
14235-81-5
Catalog Number:
AG00340S
Molecular Formula:
C8H7N
Molecular Weight:
117.1479
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$75
- +
10g
98%
In Stock USA
United States
$138
- +
25g
98%
In Stock USA
United States
$300
- +
100g
98%
In Stock USA
United States
$825
- +
Product Description
Catalog Number:
AG00340S
Chemical Name:
4-Ethynylaniline
CAS Number:
14235-81-5
Molecular Formula:
C8H7N
Molecular Weight:
117.1479
MDL Number:
MFCD00168824
IUPAC Name:
4-ethynylaniline
InChI:
InChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2
InChI Key:
JXYITCJMBRETQX-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)N
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.058g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
117.151g/mol
Monoisotopic Mass:
117.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Regular acyclic and macrocyclic [AB] oligomers by formation of push-pull chromophores in the chain-growth step. Chemistry (Weinheim an der Bergstrasse, Germany) 20110523
Density functional studies of dicobalt octacarbonyl-mediated azobenzene formation from 4-ethynylaniline. Chemistry (Weinheim an der Bergstrasse, Germany) 20060201
Properties