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2-(2-Chlorophenoxy)acetamidine Hydrochloride

2-(2-Chlorophenoxy)acetamidine Hydrochloride - CAS 58403-03-5

Catalog:	BB030027
Product Name:	2-(2-Chlorophenoxy)acetamidine Hydrochloride
CAS:	58403-03-5
Synonyms:	2-(2-chlorophenoxy)ethanimidamide;hydrochloride; 2-(2-chlorophenoxy)ethanimidamide;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(2-chlorophenoxy)ethanimidamide;hydrochloride
Description:	2-(2-Chlorophenoxy)acetamidine Hydrochloride (CAS# 58403-03-5) is a useful research chemical.
Molecular Weight:	221.08
Molecular Formula:	C8H10Cl2N2O
Canonical SMILES:	C1=CC=C(C(=C1)OCC(=N)N)Cl.Cl
InChI:	InChI=1S/C8H9ClN2O.ClH/c9-6-3-1-2-4-7(6)12-5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChI Key:	WPWKAEFYVGWTAE-UHFFFAOYSA-N
Boiling Point:	303.6 °C at 760 mmHg
MDL:	MFCD00173805
LogP:	3.25680

Publication Number	Title	Priority Date
AU-1232199-A	Method of virtual retrieval of analogs of lead compounds	19971104
AU-746833-B2	Method of virtual retrieval of analogs of lead compounds	19971104
CA-2306822-A1	Method of virtual retrieval of analogs of lead compounds	19971104
EP-1029297-A2	Method of virtual retrieval of analogs of lead compounds	19971104
EP-1029297-B1	Method of virtual retrieval of analogs of lead compounds	19971104

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.0170183
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	220.0170183
Rotatable Bond Count:	3
Topological Polar Surface Area:	59.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0