2-Amino-5-chloro-3-methylpyridine hemihydrate - CAS 1173019-45-8

Catalog:	BB003921
Product Name:	2-Amino-5-chloro-3-methylpyridine hemihydrate
CAS:	1173019-45-8
Synonyms:	5-chloro-3-methylpyridin-2-amine;hydrate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-chloro-3-methylpyridin-2-amine;hydrate
Description:	2-Amino-5-chloro-3-methylpyridine hemihydrate (CAS# 1173019-45-8 ) is a useful research chemical.
Molecular Weight:	151.59
Molecular Formula:	C6H7ClN2 · 0.5H2O
Canonical SMILES:	CC1=CC(=CN=C1N)Cl.CC1=CC(=CN=C1N)Cl.O
InChI:	InChI=1S/2C6H7ClN2.H2O/c21-4-2-5(7)3-9-6(4)8;/h22-3H,1H3,(H2,8,9);1H2
InChI Key:	XUNMRTSHBBFPTI-UHFFFAOYSA-N
LogP:	3.04710

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	97.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	302.0701165
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	302.0701165
Rotatable Bond Count:	0
Topological Polar Surface Area:	78.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0