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117068-07-2 | 1H-Pyrrole-2-acetonitrile, α-(dimethylamino)-1-methyl-
CAS No: 117068-07-2 Catalog No: AG000DNZ MDL No:MFCD00231710
Product Description
Catalog Number:
AG000DNZ
Chemical Name:
1H-Pyrrole-2-acetonitrile, α-(dimethylamino)-1-methyl-
CAS Number:
117068-07-2
Molecular Formula:
C9H13N3
Molecular Weight:
163.2196
MDL Number:
MFCD00231710
IUPAC Name:
2-(dimethylamino)-2-(1-methylpyrrol-2-yl)acetonitrile
InChI:
InChI=1S/C9H13N3/c1-11(2)9(7-10)8-5-4-6-12(8)3/h4-6,9H,1-3H3
InChI Key:
JVCIARZKPVHKKX-UHFFFAOYSA-N
SMILES:
N#CC(c1cccn1C)N(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.224g/mol
Monoisotopic Mass:
163.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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