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15087-99-7 | 2-Benzothiazolamine, 4,5,6,7-tetrahydro-N-(phenylmethyl)-
CAS No: 15087-99-7 Catalog No: AG001MXB MDL No:MFCD04492235
Product Description
Catalog Number:
AG001MXB
Chemical Name:
2-Benzothiazolamine, 4,5,6,7-tetrahydro-N-(phenylmethyl)-
CAS Number:
15087-99-7
Molecular Formula:
C14H16N2S
Molecular Weight:
244.3552
MDL Number:
MFCD04492235
IUPAC Name:
N-benzyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C14H16N2S/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h1-3,6-7H,4-5,8-10H2,(H,15,16)
InChI Key:
YCRMVAAMYKKYAU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CNc1nc2c(s1)CCCC2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.356g/mol
Monoisotopic Mass:
244.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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