5-(Aminomethyl)furan-2-carbonitrile Hydrochloride - CAS 203792-32-9

Catalog:	BB015868
Product Name:	5-(Aminomethyl)furan-2-carbonitrile Hydrochloride
CAS:	203792-32-9
Synonyms:	5-(aminomethyl)-2-furancarbonitrile;hydrochloride; 5-(aminomethyl)furan-2-carbonitrile;hydrochloride

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Computed Properties

IUPAC Name:	5-(aminomethyl)furan-2-carbonitrile;hydrochloride
Description:	5-(Aminomethyl)furan-2-carbonitrile Hydrochloride (CAS# 203792-32-9) is a useful research chemical.
Molecular Weight:	158.59
Molecular Formula:	C6H7ClN2O
Canonical SMILES:	C1=C(OC(=C1)C#N)CN.Cl
InChI:	InChI=1S/C6H6N2O.ClH/c7-3-5-1-2-6(4-8)9-5;/h1-2H,3,7H2;1H
InChI Key:	VXYGVONDVBPKOY-UHFFFAOYSA-N
LogP:	2.11228

Publication Number	Title	Priority Date
AU-4115600-A	Prodrugs of thrombin inhibitors	19990409
AU-765244-B2	Prodrugs of thrombin inhibitors	19990409
BG-105986-A	PROBLEMS OF TROMBINIC INHIBITORS	19990409
CA-2370267-A1	Prodrugs of thrombin inhibitors	19990409
EP-1165601-A2	Prodrugs of thrombin inhibitors	19990409

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Related Functional Groups

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264+P265, P280, P305+P351+P338, and P337+P317
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0246905
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	158.0246905
Rotatable Bond Count:	1
Topological Polar Surface Area:	63
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0