3-Aminobenzamide oxime - CAS 100524-07-0

Catalog:	BB000252
Product Name:	3-Aminobenzamide oxime
CAS:	100524-07-0
Synonyms:	3-amino-N'-hydroxybenzenecarboximidamide

Technical Data

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Computed Properties

IUPAC Name:	3-amino-N'-hydroxybenzenecarboximidamide
Description:	3-Aminobenzamide oxime (CAS# 100524-07-0) is a useful research chemical.
Molecular Weight:	151.17
Molecular Formula:	C7H9N3O
Canonical SMILES:	C1=CC(=CC(=C1)N)C(=NO)N
InChI:	InChI=1S/C7H9N3O/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H,8H2,(H2,9,10)
InChI Key:	OPGWBTKZYLRPRW-UHFFFAOYSA-N
Boiling Point:	413.8 °C at 760 mmHg
Purity:	97 %
Density:	1.34 g/cm³
Appearance:	Solid
MDL:	MFCD08061150
LogP:	1.64480

Publication Number	Title	Priority Date
AU-2015342021-A1	Piperidinylpyrazolopyrimidinones and their use	20141103
AU-2015342021-B2	Piperidinylpyrazolopyrimidinones and their use	20141103
BR-112017009207-A2	piperidinylpyrazolopyrimidinones and their use	20141103
CA-2966259-A1	Piperidinylpyrazolopyrimidinones and their use	20141103
EP-3215505-A1	Piperidinylpyrazolopyrimidinones and their use	20141103

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Related Functional Groups

Nitrogen Compounds

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[102388-00-1]
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[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile

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GHS Hazard Statement:	H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	151.074561919
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	151.074561919
Rotatable Bond Count:	1
Topological Polar Surface Area:	84.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4