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88988-19-6 | Pyrrolidinium, 1-(2-chloro-4-quinazolinyl)-1-ethyl-, chloride
CAS No: 88988-19-6 Catalog No: AG0045JK MDL No:
Product Description
Catalog Number:
AG0045JK
Chemical Name:
Pyrrolidinium, 1-(2-chloro-4-quinazolinyl)-1-ethyl-, chloride
CAS Number:
88988-19-6
Molecular Formula:
C14H17Cl2N3
Molecular Weight:
298.2109
IUPAC Name:
2-chloro-4-(1-ethylpyrrolidin-1-ium-1-yl)quinazoline;chloride
InChI:
InChI=1S/C14H17ClN3.ClH/c1-2-18(9-5-6-10-18)13-11-7-3-4-8-12(11)16-14(15)17-13;/h3-4,7-8H,2,5-6,9-10H2,1H3;1H/q+1;/p-1
InChI Key:
SACUBFUAKRLKNK-UHFFFAOYSA-M
SMILES:
CC[N+]1(CCCC1)c1nc(Cl)nc2c1cccc2.[Cl-]
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.211g/mol
Monoisotopic Mass:
297.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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