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868-54-2 | 2-Aminoprop-1-ene-1,1,3-tricarbonitrile
CAS No: 868-54-2 Catalog No: AG003GC0 MDL No:MFCD00001851
Product Description
Catalog Number:
AG003GC0
Chemical Name:
2-Aminoprop-1-ene-1,1,3-tricarbonitrile
CAS Number:
868-54-2
Molecular Formula:
C6H4N4
Molecular Weight:
132.1228
MDL Number:
MFCD00001851
IUPAC Name:
2-aminoprop-1-ene-1,1,3-tricarbonitrile
InChI:
InChI=1S/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,10H2
InChI Key:
BNHGNFYPZNDLAF-UHFFFAOYSA-N
SMILES:
N#CCC(=C(C#N)C#N)N
EC Number:
212-777-5
UNII:
OC6G895YHN
NSC Number:
77901
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.044g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.126g/mol
Monoisotopic Mass:
132.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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