4-(((Thiophen-2-ylmethyl)amino)methyl)benzoic acid hydrochloride
Basic information
- CAS
775293-37-3- Standard SMILES
Cl.O=C(O)c1ccc(CNCc2cccs2)cc1- InChIKey
SKKQANCRTJHLNP-UHFFFAOYSA-N- Molecular formula
- C13H14ClNO2S
- Average molar mass
- 283.77 g/mol
- Monoisotopic mass
- 283.0433776
Names & identifiers
- Preferred name
- 4-(((Thiophen-2-ylmethyl)amino)methyl)benzoic acid hydrochloride
- IUPAC
- 4-[(thiophen-2-ylmethylamino)methyl]benzoic acid;hydrochloride
- English name
- 4-([(2-Thienylmethyl)amino]methyl)benzoic acid hydrochloride
- Molecular formula
- C13H13NO2S
- Molecular weight
- 247.31
Names & synonyms
775293-37-34-(((thiophen-2-ylmethyl)amino)methyl)benzoic acid hydrochloride1052420-46-84-{[(2-THIENYLMETHYL)AMINO]METHYL}BENZOIC ACID HYDROCHLORIDEMFCD066345204-[(thiophen-2-ylmethylamino)methyl]benzoic acid;hydrochloride4-([(2-Thienylmethyl)amino]methyl)benzoic acid hydrochloride4-{[(THIOPHEN-2-YLMETHYL)AMINO]METHYL}BENZOIC ACID HYDROCHLORIDEDTXSID50388128AKOS027426915CS-0440364F315649
Show more names
Benzoic acid, 4-[[(2-thienylmethyl)amino]methyl]-4-{[(2-thienylmethyl)amino]methyl}benzoic acid hydrochloride(SALTDATA: HCl)
SR-010003041264-{[(2-Thienylmethyl)amino]methyl}benzoic Acid HClSR-01000304126-14-[(2-thienylmethylamino)methyl]benzoic acid;hydrochloride4-(((thiophen-2-ylmethyl)amino)methyl)benzoicacidhydrochloride4-({[(Thiophen-2-yl)methyl]amino}methyl)benzoic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
775293-37-3- PubChem CID
- 2989375
- DTXSID
DTXSID50388128
Properties
Computed structural properties
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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