Methyl 4-(1-Aminocyclopropyl)benzoate - CAS 1006037-03-1

Catalog:	BB000270
Product Name:	Methyl 4-(1-Aminocyclopropyl)benzoate
CAS:	1006037-03-1
Synonyms:	4-(1-aminocyclopropyl)benzoic acid methyl ester; methyl 4-(1-aminocyclopropyl)benzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 4-(1-aminocyclopropyl)benzoate
Description:	Methyl 4-(1-Aminocyclopropyl)benzoate (CAS# 1006037-03-1) is a useful research chemical.
Molecular Weight:	191.23
Molecular Formula:	C11H13NO2
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)C2(CC2)N
InChI:	InChI=1S/C11H13NO2/c1-14-10(13)8-2-4-9(5-3-8)11(12)6-7-11/h2-5H,6-7,12H2,1H3
InChI Key:	JUMQWXLIAYMPHT-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	2.12130

Publication Number	Title	Priority Date
EP-3885339-A1	Process for the preparation of (r)-4-(1-(6-(4-(trifluoromethyl)benzyl)-6-azaspiro[2.5]octane-5-carboxamido)-cyclopropyl) benzoic acid or a salt thereof	20200327
WO-2021191062-A1	Process for the preparation of (r)-4-(1-(6-(4-(trifluoromethyl)benzyl)-6-azaspiro[2.5]octane-5-carboxamido)-cyclopropyl) benzoic acid or a salt thereof	20200327
WO-2021115560-A1	New fyn and vegfr2 kinase inhibitors	20191209
WO-2021116005-A1	New fyn and vegfr2 kinase inhibitors	20191209
EP-3827828-A1	(r)-4-(1-(6-(4-(trifluoromethyl)benzyl)-6-azaspiro[2.5]octane-5-carboxamido)-cyclopropyl) benzoic acid or its salt also in polymorphic form a for use in the prevention of heterotopic ossification	20191129

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Related Functional Groups

Amines and Anilines

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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:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.094628657
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.094628657
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5