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5-Chloro-2-morpholin-4-ylaniline hydrochloride

5-Chloro-2-morpholin-4-ylaniline hydrochloride - CAS 90875-44-8

Catalog:	BB050573
Product Name:	5-Chloro-2-morpholin-4-ylaniline hydrochloride
CAS:	90875-44-8
Synonyms:	5-Chloro-2-Morpholinoaniline

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-chloro-2-morpholin-4-ylaniline
Description:	5-Chloro-2-morpholin-4-ylaniline hydrochloride (CAS# 90875-44-8 ) is a useful research chemical.
Molecular Weight:	212.67
Molecular Formula:	C10H13ClN2O
Canonical SMILES:	C1COCCN1C2=C(C=C(C=C2)Cl)N
InChI:	InChI=1S/C10H13ClN2O/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
InChI Key:	UNDBLGNMBLCRNJ-UHFFFAOYSA-N
Boiling Point:	384.5 ℃ at 760 mmHg
Purity:	95 %
Density:	1.273 g/cm³
Appearance:	Solid

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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]; H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.0716407
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.0716407
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6