1,4-Cyclohexanebis(methylamine), N,N'-bis(2-thienylmethyl)-, dihydrochloride

HCID 71056

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Basic information

CAS: 1234-40-8
Standard SMILES: Cl.Cl.c1csc(CNCC2CCC(CNCc3cccs3)CC2)c1
InChIKey: POBVODLJHWXYOA-UHFFFAOYSA-N
Molecular formula: C18H28Cl2N2S2
Average molar mass: 407.5 g/mol
Monoisotopic mass: 406.1070966

Names & identifiers

Preferred name: 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-thienylmethyl)-, dihydrochloride
IUPAC: N-(thiophen-2-ylmethyl)-1-[4-[(thiophen-2-ylmethylamino)methyl]cyclohexyl]methanamine;dihydrochloride

Names & synonyms

1,4-Cyclohexanebis(methylamine), N,N'-bis(2-thienylmethyl)-, dihydrochlorideN,N'-Bis(2-thienylmethyl)-1,4-cyclohexanebis(methylamine) dihydrochloride1234-40-8DTXSID901540062-Thiophenemethylamine, N,N'-(1,4-cyclohexylenedimethylene)bis-, dihydrochlorideN,N'-(1,4-Cyclohexylenedimethylene)bis(2-thiophenemethylamine) dihydrochlorideRefChem:220322DTXCID2076497N,N'-[Cyclohexane-1,4-diylbis(methylene)]bis[1-(thiophen-2-yl)methanamine]--hydrogen chloride (1/2)

Database identifiers

CAS: 1234-40-8
PubChem CID: 71056
DTXSID: DTXSID90154006

Properties

Computed structural properties

Topological polar surface area: 80.5 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 275

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