775293-37-3
4-([(2-THIENYLMETHYL)AMINO]METHYL)BENZOIC ACID HYDROCHLORIDE
Name4-([(2-THIENYLMETHYL)AMINO]METHYL)BENZOIC ACID HYDROCHLORIDE
FormulaC13 H13 N O2 S . Cl H
1Identification
【Name】
4-([(2-THIENYLMETHYL)AMINO]METHYL)BENZOIC ACID HYDROCHLORIDE
【CAS】
【MDL】
MFCD06634520
【English Synonyms】
【Formula】
C13 H13 N O2 S . Cl H
【MolWeight】
283.778
【Inchi】
InChI=1S/C13H13NO2S.ClH/c15-13(16)11-5-3-10(4-6-11)8-14-9-12-2-1-7-17-12;/h1-7,14H,8-9H2,(H,15,16);1H
【InChIKey】
InChIKey=SKKQANCRTJHLNP-UHFFFAOYSA-N
【SMILES】
c1cc(sc1)CNCc2ccc(cc2)C(=O)O.Cl
【MOL File】
4-([(2-THIENYLMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-([(2-THIENYLMETHYL)AMINO]METHYL)BENZOIC ACID HYDROCHLORIDE.cml