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4-{[(3-Thienylmethyl)amino]methyl}benzoic acid
[CAS# 881441-17-4]

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Identification
Name 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid
Synonyms 4-{[(3-thienylmethyl)amino]methyl}benzoic acid hydrochloride; 4-{[(thien-3-ylmethyl)amino]methyl}benzoic acid; 4-{[(thiophen-3-ylmethyl)amino]methyl}benzoic acid
Molecular Structure CAS#: 881441-17-4, 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid
Molecular Formula C13H13NO2S
Molecular Weight 247.31
CAS Registry Number 881441-17-4
SMILES O=C(O)c1ccc(cc1)CNCc2ccsc2
InChI 1S/C13H13NO2S/c15-13(16)12-3-1-10(2-4-12)7-14-8-11-5-6-17-9-11/h1-6,9,14H,7-8H2,(H,15,16)
InChIKey JHQXASBGCGEOFX-UHFFFAOYSA-N
Properties
Density 1.276g/cm3 (Cal.)
Boiling point 420.156°C at 760 mmHg (Cal.)
Flash point 207.903°C (Cal.)
Refractive index 1.633 (Cal.)
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List of Reports Available for 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid
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