Home Amines 1118-61-2
1118-61-2,MFCD00008071
Catalog No.:AA003IUO
1118-61-2 | 3-Aminocrotononitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$44.00   $31.00
- +
5g
96%
in stock  
$55.00   $39.00
- +
25g
96%
in stock  
$100.00   $70.00
- +
100g
96%
in stock  
$228.00   $160.00
- +
500g
96%
in stock  
$744.00   $521.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IUO
Chemical Name:
3-Aminocrotononitrile
CAS Number:
1118-61-2
Molecular Formula:
C4H6N2
Molecular Weight:
82.1038
MDL Number:
MFCD00008071
IUPAC Name:
3-aminobut-2-enenitrile
InChI:
InChI=1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3
InChI Key:
DELJOESCKJGFML-UHFFFAOYSA-N
SMILES:
CC(=CC#N)N
EC Number:
214-266-2
Properties
Computed Properties
 
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.053g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
82.106g/mol
Monoisotopic Mass:
82.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
-0.1  

Synonyms
 
3-Aminocrotononitrile 
3-aminobut-2-enenitrile 
3-amino-2-butene nitrile 
ACMC-2099b1 
CTK2G7892 
CTK3C5749 
CTK3J3912 
DELJOESCKJGFML-UHFFFAOYSA-N 
763-33-7 
ACT07325 
KS-000009HT 
2-Butenenitrile, 3-amino-, (E)- 
1118-61-2 
ANW-16331 
AKOS028108312 
MCULE-7342293837 
AN-48551 
FT-0615039 
3-Aminocrotonitrile 
(E)-3-aminobut-2-enenitrile 
C4H6N2 
C4-H6-N2 
CID70699 
2-Butenenitrile, 3-amino- 
EINECS 214-266-2 
NSC 102759 
AI3-52447 
3-Amino-but-2-enenitrile 
2-Butenenitrile, 3-amino-, (2Z)- 
beta-Aminocrotononitrile 
3-Amino-2-butenonitrile 
870-64-4 
AC1L2ENS 
Literature
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