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24813-03-4 | Methanone, [3-[bis(2-chloroethyl)amino]phenyl]-1-piperidinyl-
CAS No: 24813-03-4 Catalog No: AG002PJL MDL No:
Product Description
Catalog Number:
AG002PJL
Chemical Name:
Methanone, [3-[bis(2-chloroethyl)amino]phenyl]-1-piperidinyl-
CAS Number:
24813-03-4
Molecular Formula:
C16H22Cl2N2O
Molecular Weight:
329.2647
IUPAC Name:
[3-[bis(2-chloroethyl)amino]phenyl]-piperidin-1-ylmethanone
InChI:
InChI=1S/C16H22Cl2N2O/c17-7-11-19(12-8-18)15-6-4-5-14(13-15)16(21)20-9-2-1-3-10-20/h4-6,13H,1-3,7-12H2
InChI Key:
IEJBRKRLLHCIRJ-UHFFFAOYSA-N
SMILES:
ClCCN(c1cccc(c1)C(=O)N1CCCCC1)CCCl
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.265g/mol
Monoisotopic Mass:
328.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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