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2-(Aminomethyl)-4-fluoropyridine Dihydrochloride

2-(Aminomethyl)-4-fluoropyridine Dihydrochloride - CAS 1257535-13-9

Catalog:	BB006247
Product Name:	2-(Aminomethyl)-4-fluoropyridine Dihydrochloride
CAS:	1257535-13-9
Synonyms:	(4-fluoro-2-pyridinyl)methanamine;dihydrochloride; (4-fluoropyridin-2-yl)methanamine;dihydrochloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(4-fluoropyridin-2-yl)methanamine;dihydrochloride
Description:	2-(Aminomethyl)-4-fluoropyridine Dihydrochloride (CAS# 1257535-13-9) is a useful research chemical compound.
Molecular Weight:	199.05
Molecular Formula:	C6H9Cl2FN2
Canonical SMILES:	C1=CN=C(C=C1F)CN.Cl.Cl
InChI:	InChI=1S/C6H7FN2.2ClH/c7-5-1-2-9-6(3-5)4-8;;/h1-3H,4,8H2;2*1H
InChI Key:	BJPKPLBQCNCSGP-UHFFFAOYSA-N
Storage:	Inert atmosphere, Room Temperature
LogP:	2.98370

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0126818
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	198.0126818
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0