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141991-47-1 | 2-Propenenitrile, 3-amino-3-(4-phenyl-1-piperazinyl)-
CAS No: 141991-47-1 Catalog No: AG001HHI MDL No:MFCD00793935
Product Description
Catalog Number:
AG001HHI
Chemical Name:
2-Propenenitrile, 3-amino-3-(4-phenyl-1-piperazinyl)-
CAS Number:
141991-47-1
Molecular Formula:
C13H16N4
Molecular Weight:
228.2929
MDL Number:
MFCD00793935
IUPAC Name:
3-amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile
InChI:
InChI=1S/C13H16N4/c14-7-6-13(15)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-6H,8-11,15H2
InChI Key:
HEKBLZZEBXHMMX-UHFFFAOYSA-N
SMILES:
N#CC=C(N1CCN(CC1)c1ccccc1)N
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.299g/mol
Monoisotopic Mass:
228.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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