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32444-63-6 | TRANS-4-DIMETHYLAMINOCINNAMONITRILE
CAS No: 32444-63-6 Catalog No: AG003UXY MDL No:MFCD00001933
Product Description
Catalog Number:
AG003UXY
Chemical Name:
TRANS-4-DIMETHYLAMINOCINNAMONITRILE
CAS Number:
32444-63-6
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD00001933
IUPAC Name:
(E)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
InChI:
InChI=1S/C11H12N2/c1-13(2)11-7-5-10(6-8-11)4-3-9-12/h3-8H,1-2H3/b4-3+
InChI Key:
CSCOHKCYDZVRMQ-ONEGZZNKSA-N
SMILES:
CN(c1ccc(cc1)/C=C/C#N)C
EC Number:
251-044-4
NSC Number:
122722
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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