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1016828-00-4 | 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS No: 1016828-00-4 Catalog No: AG019MFV MDL No:MFCD09948643
Product Description
Catalog Number:
AG019MFV
Chemical Name:
1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS Number:
1016828-00-4
Molecular Formula:
C14H22N2O
Molecular Weight:
234.3373
MDL Number:
MFCD09948643
IUPAC Name:
1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C14H22N2O/c1-4-15-7-5-6-14(15)9-16-11(2)8-13(10-17)12(16)3/h8,10,14H,4-7,9H2,1-3H3
InChI Key:
BPXZUWKZDAPQMP-UHFFFAOYSA-N
SMILES:
CCN1CCCC1Cn1c(C)cc(c1C)C=O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.343g/mol
Monoisotopic Mass:
234.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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