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1251614-57-9 | N1-(7-Chloro-4-methylbenzo[d]thiazol-2-yl)-N3,N3-dimethylpropane-1,3-diamine
CAS No: 1251614-57-9 Catalog No: AG01FMZS MDL No:MFCD22587581
Product Description
Catalog Number:
AG01FMZS
Chemical Name:
N1-(7-Chloro-4-methylbenzo[d]thiazol-2-yl)-N3,N3-dimethylpropane-1,3-diamine
CAS Number:
1251614-57-9
Molecular Formula:
C13H18ClN3S
Molecular Weight:
283.8201
MDL Number:
MFCD22587581
IUPAC Name:
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
InChI:
InChI=1S/C13H18ClN3S/c1-9-5-6-10(14)12-11(9)16-13(18-12)15-7-4-8-17(2)3/h5-6H,4,7-8H2,1-3H3,(H,15,16)
InChI Key:
RJBOKSJJDFGIGM-UHFFFAOYSA-N
SMILES:
CN(CCCNc1sc2c(n1)c(C)ccc2Cl)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.818g/mol
Monoisotopic Mass:
283.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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