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102120-96-7 | 2-Thiopheneethanamine, N-(1,2,3,4-tetrahydro-5-methoxy-2-naphthalenyl)-, hydrochloride (1:1)
CAS No: 102120-96-7 Catalog No: AG0006OJ MDL No:MFCD11042285
Product Description
Catalog Number:
AG0006OJ
Chemical Name:
2-Thiopheneethanamine, N-(1,2,3,4-tetrahydro-5-methoxy-2-naphthalenyl)-, hydrochloride (1:1)
CAS Number:
102120-96-7
Molecular Formula:
C17H22ClNOS
Molecular Weight:
323.8807
MDL Number:
MFCD11042285
IUPAC Name:
5-methoxy-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
InChI:
InChI=1S/C17H21NOS.ClH/c1-19-17-6-2-4-13-12-14(7-8-16(13)17)18-10-9-15-5-3-11-20-15;/h2-6,11,14,18H,7-10,12H2,1H3;1H
InChI Key:
BNVOOCGMHFSIKN-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CCC(C2)NCCc1cccs1.Cl
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.879g/mol
Monoisotopic Mass:
323.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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