2-(4-Aminophenyl)propanoic Acid - CAS 59430-62-5

Catalog:	BB030378
Product Name:	2-(4-Aminophenyl)propanoic Acid
CAS:	59430-62-5
Synonyms:	2-(4-aminophenyl)propanoic acid; 2-(4-aminophenyl)propanoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-aminophenyl)propanoic acid
Description:	2-(4-Aminophenyl)propanoic Acid (CAS# 59430-62-5) is a reagent in the preparation of 3-aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents (Erratum).
Molecular Weight:	165.19
Molecular Formula:	C9H11NO2
Canonical SMILES:	CC(C1=CC=C(C=C1)N)C(=O)O
InChI:	InChI=1S/C9H11NO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3,(H,11,12)
InChI Key:	WOMVICAMAQURRN-UHFFFAOYSA-N
Boiling Point:	345 °C at 760 mmHg
Density:	1.21 g/cm³
MDL:	MFCD00800233
LogP:	2.03810

Publication Number	Title	Priority Date
CN-110707221-A	Application of amino acid ionic liquid in preparation of perovskite layer in perovskite photoelectric device	20190925
US-2020377470-A1	Synergists for quinacridone magenta pigments	20190530
WO-2020243402-A1	Synergists for quinacridone magenta pigments	20190530
WO-2020065408-A1	Sulfomaleimide-based linkers and corresponding conjugates	20180927
EP-3856258-A1	Sulfomaleimide-based linkers and corresponding conjugates	20180927

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.078978594
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2