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89292-81-9 | Benzenamine, 2-chloro-N,N-dimethyl-4-(1-piperazinylmethyl)-
CAS No: 89292-81-9 Catalog No: AG0040X9 MDL No:
Product Description
Catalog Number:
AG0040X9
Chemical Name:
Benzenamine, 2-chloro-N,N-dimethyl-4-(1-piperazinylmethyl)-
CAS Number:
89292-81-9
Molecular Formula:
C13H20ClN3
Molecular Weight:
253.7710
IUPAC Name:
2-chloro-N,N-dimethyl-4-(piperazin-1-ylmethyl)aniline
InChI:
InChI=1S/C13H20ClN3/c1-16(2)13-4-3-11(9-12(13)14)10-17-7-5-15-6-8-17/h3-4,9,15H,5-8,10H2,1-2H3
InChI Key:
PQAQJCBHQANNGU-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1Cl)CN1CCNCC1)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.135g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.774g/mol
Monoisotopic Mass:
253.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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