2-(Aminomethyl)-3-chloropyrazine Hydrochloride - CAS 939412-86-9

Catalog:	BB041136
Product Name:	2-(Aminomethyl)-3-chloropyrazine Hydrochloride
CAS:	939412-86-9
Synonyms:	(3-chloro-2-pyrazinyl)methanamine;hydrochloride; (3-chloropyrazin-2-yl)methanamine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	(3-chloropyrazin-2-yl)methanamine;hydrochloride
Description:	2-(Aminomethyl)-3-chloropyrazine Hydrochloride (CAS# 939412-86-9) is a useful research chemical.
Molecular Weight:	180.04
Molecular Formula:	C5H7Cl2N3
Canonical SMILES:	C1=CN=C(C(=N1)CN)Cl.Cl
InChI:	InChI=1S/C5H6ClN3.ClH/c6-5-4(3-7)8-1-2-9-5;/h1-2H,3,7H2;1H
InChI Key:	YYVVOYJKQZWKFS-UHFFFAOYSA-N
MDL:	MFCD09910171
LogP:	2.09100

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.0017026
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	179.0017026
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0