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20110-30-9 | Benzeneethanamine, 4-chloro-α,β-dimethyl-N-propyl-
CAS No: 20110-30-9 Catalog No: AG002D6X MDL No:
Product Description
Catalog Number:
AG002D6X
Chemical Name:
Benzeneethanamine, 4-chloro-α,β-dimethyl-N-propyl-
CAS Number:
20110-30-9
Molecular Formula:
C13H20ClN
Molecular Weight:
225.7576
IUPAC Name:
3-(4-chlorophenyl)-N-propylbutan-2-amine
InChI:
InChI=1S/C13H20ClN/c1-4-9-15-11(3)10(2)12-5-7-13(14)8-6-12/h5-8,10-11,15H,4,9H2,1-3H3
InChI Key:
ORWZGFCBIQOWJP-UHFFFAOYSA-N
SMILES:
CCCNC(C(c1ccc(cc1)Cl)C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.128g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.76g/mol
Monoisotopic Mass:
225.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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