4-Amino-N-(2-furylmethyl)benzamide - CAS 680185-86-8

Catalog:	BB033461
Product Name:	4-Amino-N-(2-furylmethyl)benzamide
CAS:	680185-86-8
Synonyms:	4-amino-N-(2-furanylmethyl)benzamide; 4-amino-N-(furan-2-ylmethyl)benzamide

Technical Data

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Computed Properties

IUPAC Name:	4-amino-N-(furan-2-ylmethyl)benzamide
Description:	4-Amino-N-(2-furylmethyl)benzamide (CAS# 680185-86-8) is a useful research chemical.
Molecular Weight:	216.24
Molecular Formula:	C12H12N2O2
Canonical SMILES:	C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)N
InChI:	InChI=1S/C12H12N2O2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h1-7H,8,13H2,(H,14,15)
InChI Key:	AABBIAOWKMFHJI-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD03425053
LogP:	2.76390

Publication Number	Title	Priority Date
CN-108530444-B	Novel NAMPT and IDO dual inhibitor and preparation method and medical application thereof	20180611
EP-1928879-B1	Fused heterocyclic compounds useful as kinase modulators	20050922
US-2007078136-A1	Fused heterocyclic compounds useful as kinase modulators	20050922
US-2008045536-A1	Fused heterocyclic compounds useful as kinase modulators	20050922
US-2010204212-A1	Fused heterocyclic compounds useful as kinase modulators	20050922

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.08987763
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	216.08987763
Rotatable Bond Count:	3
Topological Polar Surface Area:	68.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1