2-Amino-3-isopropylbenzoic Acid - CAS 154551-48-1

Catalog:	BB011028
Product Name:	2-Amino-3-isopropylbenzoic Acid
CAS:	154551-48-1
Synonyms:	2-amino-3-propan-2-ylbenzoic acid; 2-amino-3-propan-2-ylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-amino-3-propan-2-ylbenzoic acid
Description:	2-Amino-3-isopropylbenzoic Acid (CAS# 154551-48-1) is a useful research chemical.
Molecular Weight:	179.22
Molecular Formula:	C10H13NO2
Canonical SMILES:	CC(C)C1=CC=CC(=C1N)C(=O)O
InChI:	InChI=1S/C10H13NO2/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-6H,11H2,1-2H3,(H,12,13)
InChI Key:	VSDBREZLAHYQJY-UHFFFAOYSA-N
LogP:	2.67160

Publication Number	Title	Priority Date
US-2019343838-A1	Kras g12c inhibitors and methods of using the same	20180504
WO-2019213516-A1	Kras g12c inhibitors and methods of using the same	20180504
AU-2019262589-A1	KRAS G12C inhibitors and methods of using the same	20180504
EP-3788038-A1	Kras g12c inhibitors and methods of using the same	20180504
JP-2021521194-A	KRas G12C inhibitor and method of using it	20180504

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Related Functional Groups

Carbonyl Compounds

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[832741-29-4]
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[70912-52-6]
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[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.094628657
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	179.094628657
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4