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1240529-26-3 | 1,4-Benzodioxin-5-methanamine, 2,3-dihydro-, hydrochloride (1:2)
CAS No: 1240529-26-3 Catalog No: AG000LGK MDL No:MFCD16622192
Product Description
Catalog Number:
AG000LGK
Chemical Name:
1,4-Benzodioxin-5-methanamine, 2,3-dihydro-, hydrochloride (1:2)
CAS Number:
1240529-26-3
Molecular Formula:
C9H13Cl2NO2
Molecular Weight:
238.1110
MDL Number:
MFCD16622192
IUPAC Name:
2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;dihydrochloride
InChI:
InChI=1S/C9H11NO2.2ClH/c10-6-7-2-1-3-8-9(7)12-5-4-11-8;;/h1-3H,4-6,10H2;2*1H
InChI Key:
TVHPRBWRLRJJDT-UHFFFAOYSA-N
SMILES:
NCc1cccc2c1OCCO2.Cl.Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.108g/mol
Monoisotopic Mass:
237.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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