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866783-13-3 | (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride
CAS No: 866783-13-3 Catalog No: AG004TCY MDL No:MFCD13194843
Product Description
Catalog Number:
AG004TCY
Chemical Name:
(1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride
CAS Number:
866783-13-3
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
MDL Number:
MFCD13194843
IUPAC Name:
1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methylmethanamine;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-13-7-9-4-8-5-11(14-2)12(15-3)6-10(8)9;/h5-6,9,13H,4,7H2,1-3H3;1H/t9-;/m1./s1
InChI Key:
SWSAIQSQSDOONK-SBSPUUFOSA-N
SMILES:
CNC[C@H]1Cc2c1cc(c(c2)OC)OC.Cl
EC Number:
617-905-7
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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