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1105188-36-0 | N,N-DIETHYL-N'-(4-METHOXY-7-METHYL-1,3-BENZOTHIAZOL-2-YL)ETHANE-1,2-DIAMI+
CAS No: 1105188-36-0 Catalog No: AG01AROB MDL No:MFCD11986998
Product Description
Catalog Number:
AG01AROB
Chemical Name:
N,N-DIETHYL-N'-(4-METHOXY-7-METHYL-1,3-BENZOTHIAZOL-2-YL)ETHANE-1,2-DIAMI+
CAS Number:
1105188-36-0
Molecular Formula:
C15H23N3OS
Molecular Weight:
293.4276
MDL Number:
MFCD11986998
IUPAC Name:
N',N'-diethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
InChI:
InChI=1S/C15H23N3OS/c1-5-18(6-2)10-9-16-15-17-13-12(19-4)8-7-11(3)14(13)20-15/h7-8H,5-6,9-10H2,1-4H3,(H,16,17)
InChI Key:
ZBZBWQHJAKTNEI-UHFFFAOYSA-N
SMILES:
CCN(CCNc1sc2c(n1)c(OC)ccc2C)CC
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.156g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.429g/mol
Monoisotopic Mass:
293.156g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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