5-amino-2-methoxybenzonitrile - CAS 214623-57-1

Name: 5-amino-2-methoxybenzonitrile
Brand: BOC Sciences
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Catalog:	BB016884
Product Name:	5-amino-2-methoxybenzonitrile
CAS:	214623-57-1
Synonyms:	5-amino-2-methoxybenzonitrile; 5-amino-2-methoxybenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-amino-2-methoxybenzonitrile
Description:	5-amino-2-methoxybenzonitrile (CAS# 214623-57-1) is a useful research chemical.
Molecular Weight:	148.16
Molecular Formula:	C8H8N2O
Canonical SMILES:	COC1=C(C=C(C=C1)N)C#N
InChI:	InChI=1S/C8H8N2O/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,10H2,1H3
InChI Key:	BZNMIDYUSWEPOM-UHFFFAOYSA-N
Boiling Point:	347.5 °C at 760 mmHg
Density:	1.17 g/cm³
MDL:	MFCD00723841
LogP:	1.73028

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Related Functional Groups

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Publication Number	Title	Priority Date
WO-2019166639-A1	Substituted benzodiazoles and use thereof in therapy	20180301
CN-112074511-A	Substituted benzodiazoles and their use in therapy	20180301
EP-3759091-A1	Substituted benzodiazoles and use thereof in therapy	20180301
US-2021002250-A1	Substituted benzodiazoles and use thereof in therapy	20180301
JP-2021515007-A	Substituted benzodiazole and its use in therapy	20180301

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.063662883
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	59
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9