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148-87-8 | 3-(Ethyl(phenyl)amino)propanenitrile
CAS No: 148-87-8 Catalog No: AG003JEM MDL No:MFCD00019858
Product Description
Catalog Number:
AG003JEM
Chemical Name:
3-(Ethyl(phenyl)amino)propanenitrile
CAS Number:
148-87-8
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD00019858
IUPAC Name:
3-(N-ethylanilino)propanenitrile
InChI:
InChI=1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3
InChI Key:
WYRNRZQRKCXPLA-UHFFFAOYSA-N
SMILES:
N#CCCN(c1ccccc1)CC
EC Number:
205-728-4
UNII:
465EKH3OG1
NSC Number:
81243
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Effect of cepea extract-heparin and allantoin mixture on epidural fibrosis in a rat hemilaminectomy model. | Turkish neurosurgery 20091001 |
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