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100594-86-3 | Pyrrolidine, 2-(5-hexen-1-yl)-5-(8-nonen-1-yl)-
CAS No: 100594-86-3 Catalog No: AG0002FC MDL No:
Product Description
Catalog Number:
AG0002FC
Chemical Name:
Pyrrolidine, 2-(5-hexen-1-yl)-5-(8-nonen-1-yl)-
CAS Number:
100594-86-3
Molecular Formula:
C19H35N
Molecular Weight:
277.4879
IUPAC Name:
2-hex-5-enyl-5-non-8-enylpyrrolidine
InChI:
InChI=1S/C19H35N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h3-4,18-20H,1-2,5-17H2
InChI Key:
YCQNSAJAZIVRFR-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCC1CCC(N1)CCCCC=C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.277g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.496g/mol
Monoisotopic Mass:
277.277g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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