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1420978-86-4 | 3-Piperidinamine, 1-(2-benzothiazolyl)-, hydrochloride (1:1)
CAS No: 1420978-86-4 Catalog No: AG001HRX MDL No:
Product Description
Catalog Number:
AG001HRX
Chemical Name:
3-Piperidinamine, 1-(2-benzothiazolyl)-, hydrochloride (1:1)
CAS Number:
1420978-86-4
Molecular Formula:
C12H16ClN3S
Molecular Weight:
269.7935
IUPAC Name:
1-(1,3-benzothiazol-2-yl)piperidin-3-amine;hydrochloride
InChI:
InChI=1S/C12H15N3S.ClH/c13-9-4-3-7-15(8-9)12-14-10-5-1-2-6-11(10)16-12;/h1-2,5-6,9H,3-4,7-8,13H2;1H
InChI Key:
BYYMQDOISGICHJ-UHFFFAOYSA-N
SMILES:
NC1CCCN(C1)c1nc2c(s1)cccc2.Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.791g/mol
Monoisotopic Mass:
269.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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