CAS No.29644-97-1,α-(p-Aminophenyl)butyric acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29644-97-1
Name:	α-(p-Aminophenyl)butyric acid
Article Data:	9

Formula:	C₁₀H₁₃NO₂
Molecular Weight:	179.219
Synonyms:	Butyricacid, 2-(p-aminophenyl)- (6CI,7CI,8CI);NSC 27530;
Density:	1.171 g/cm³
Melting Point:	142-143℃
Boiling Point:	354.6 °C at 760 mmHg
Flash Point:	168.3 °C
PSA:	63.32000
LogP:	2.42820

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Specification

The Benzeneacetic acid,4-amino-alpha-ethyl-, with the CAS registry number 29644-97-1, is also known as 2-(p-Aminophenyl)butyric acid. This chemical's molecular formula is C₁₀H₁₃NO₂ and molecular weight is 179.21572. Its IUPAC name is called 2-(4-aminophenyl)butanoic acid. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of Benzeneacetic acid,4-amino-alpha-ethyl-: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): 0.06; (3)ACD/LogD (pH 7.4): -1.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.67; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 50.87 cm³; (13)Molar Volume: 152.9 cm³; (14)Surface Tension: 51.5 dyne/cm; (15)Density: 1.171 g/cm³; (16)Flash Point: 168.3 °C; (17)Enthalpy of Vaporization: 63.28 kJ/mol; (18)Boiling Point: 354.6 °C at 760 mmHg; (19)Vapour Pressure: 1.22E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C1=CC=C(C=C1)N)C(=O)O
(2)InChI: InChI=1S/C10H13NO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2,11H2,1H3,(H,12,13)
(3)InChIKey: WAPLXGPARWRGJO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1180mg/kg (1180mg/kg)		Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958.
mouse	LD50	unreported	955mg/kg (955mg/kg)		Farmaco, Edizione Scientifica. Vol. 16, Pg. 23, 1961.