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115700-70-4 | 2H-Pyrrolium, 1-(4-aminobutyl)-3,4-dihydro-
CAS No: 115700-70-4 Catalog No: AG000GS0 MDL No:
Product Description
Catalog Number:
AG000GS0
Chemical Name:
2H-Pyrrolium, 1-(4-aminobutyl)-3,4-dihydro-
CAS Number:
115700-70-4
Molecular Formula:
C8H17N2+
Molecular Weight:
141.2340
IUPAC Name:
4-(3,4-dihydro-2H-pyrrol-1-ium-1-yl)butan-1-amine
InChI:
InChI=1S/C8H17N2/c9-5-1-2-6-10-7-3-4-8-10/h7H,1-6,8-9H2/q+1
InChI Key:
PSISLYNHYRYJFB-UHFFFAOYSA-N
SMILES:
NCCCC[N+]1=CCCC1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.139g/mol
Formal Charge:
1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.238g/mol
Monoisotopic Mass:
141.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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