Benzamidine Hydrochloride Hydrate - CAS 206752-36-5

Catalog:	BB016148
Product Name:	Benzamidine Hydrochloride Hydrate
CAS:	206752-36-5
Synonyms:	benzenecarboximidamide;hydrate;hydrochloride; benzenecarboximidamide;hydrate;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	benzenecarboximidamide;hydrate;hydrochloride
Description:	Benzamidine Hydrochloride Hydrate (CAS# 206752-36-5) is a useful research chemical.
Molecular Weight:	174.63
Molecular Formula:	C7H11ClN2O
Canonical SMILES:	C1=CC=C(C=C1)C(=N)N.O.Cl
InChI:	InChI=1S/C7H8N2.ClH.H2O/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H3,8,9);1H;1H2
InChI Key:	BQVJCMMLDJPBFZ-UHFFFAOYSA-N
Boiling Point:	208.5 °C at 760 mmHg
MDL:	MFCD00066285
LogP:	2.50840

Publication Number	Title	Priority Date
CN-110776829-A	Tungsten Chemical Mechanical Planarization (CMP) with low dishing and low erosion topography	20180731
EP-3604468-A1	Tungsten chemical mechanical planarization (cmp) with low dishing and low erosion topography	20180731
JP-2020050861-A	Tungsten chemical mechanical planarization (CMP) with low dishing and low erosion topography	20180731
KR-20200014244-A	Tungsten chemical mechanical planarization (cmp) with low dishing and low erosion topography	20180731
TW-202007756-A	Tungsten chemical mechanical planarization (CMP) with low dishing and low erosion topography	20180731

PMID	Publication Date	Title	Journal
15505709	20041107	Probing the effect of the amidinium group and the phenyl ring on the thermodynamics of binding of benzamidinium chloride to trypsin	Organic & biomolecular chemistry
12940739	20030903	Understanding binding affinity: a combined isothermal titration calorimetry/molecular dynamics study of the binding of a series of hydrophobically modified benzamidinium chloride inhibitors to trypsin	Journal of the American Chemical Society

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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
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[247077-46-9]
3-Fluoro-6-methyl-2-nitropyridine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.0559907
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	174.0559907
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0