4-Amino-N-isopropylbenzamide - CAS 774-67-4

Catalog:	BB035956
Product Name:	4-Amino-N-isopropylbenzamide
CAS:	774-67-4
Synonyms:	4-amino-N-propan-2-ylbenzamide

Technical Data

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Computed Properties

IUPAC Name:	4-amino-N-propan-2-ylbenzamide
Description:	4-Amino-N-isopropylbenzamide (CAS# 774-67-4) is a useful research chemical.
Molecular Weight:	178.23
Molecular Formula:	C10H14N2O
Canonical SMILES:	CC(C)NC(=O)C1=CC=C(C=C1)N
InChI:	InChI=1S/C10H14N2O/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3,(H,12,13)
InChI Key:	MTCRMEXPYUBMTJ-UHFFFAOYSA-N
Boiling Point:	369.69 °C at 760 mmHg
Density:	1.077 g/cm³
MDL:	MFCD00973891
LogP:	2.37910

Publication Number	Title	Priority Date
US-2019209572-A1	Bifunctional antifungal agents and methods of treating fungal infection	20160819
AU-2015320675-A1	Aminotriazine derivatives useful as tank-binding kinase inhibitor compounds	20140926
AU-2015320675-B2	Aminotriazine derivatives useful as tank-binding kinase inhibitor compounds	20140926
BR-102015024618-A2	tank binding kinase inhibitor compounds	20140926
CA-2962578-A1	Aminotriazine derivatives useful as tank-binding kinase inhibitor compounds	20140926

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[17746-05-3]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.110613074
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	178.110613074
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3