CAS No.542-32-5,DL-2-AMINOADIPIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	542-32-5
Name:	DL-2-AMINOADIPIC ACID
Article Data:	46

Formula:	C₆H₁₁NO₄
Molecular Weight:	161.158
Synonyms:	2-Aminoadipate;2-Aminoadipic acid;DL-2-Aminoadipic acid;DL-2-Aminohexanedioic acid;NSC 46994;
EINECS:	208-809-2
Density:	1.333 g/cm³
Melting Point:	196-198 °C
Boiling Point:	364 °C at 760 mmHg
Flash Point:	173.9 °C
Solubility:	Soluble in water (2.2 mg/ml at 20°C), 1 M HCl (50 mg/ml), ethanol (slightly), ether (slightly), and 80% formic acid (25 mg/ml).
Appearance:	crystalline
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25-36-26
PSA:	100.62000
LogP:	0.35350

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Specification

The Hexanedioic acid,2-amino-, with the CAS registry number 542-32-5, is also known as Acide 2-aminohexanedioïque. It belongs to the product category of Amino Acids & Derivatives. Its EINECS registry number is 208-809-2. This chemical's molecular formula is C₆H₁₁NO₄ and molecular weight is 161.16. What's more, both its IUPAC name and systematic name are the same which is called 2-Aminohexanedioic acid. It is crystalline and it can be used as an amino acid isolated from Cholera vibrio. The classification codes are Drug / Therapeutic Agent; Excitatory Amino Acid Agents; Excitatory Amino Acid Antagonists; Neurotransmitter Agents.

Physical properties about Hexanedioic acid,2-amino- are: (1) ACD/LogP: -0.54; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -3.72; (4) ACD/LogD (pH 7.4): -4.04; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 5; (10) #H bond donors: 4; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 55.84 Å²; (13) Index of Refraction: 1.515; (14) Molar Refractivity: 36.46 cm³; (15) Molar Volume: 120.8 cm³; (16) Surface Tension: 63.2 dyne/cm; (17) Density: 1.333 g/cm³; (18) Flash Point: 173.9 °C; (19) Enthalpy of Vaporization: 67.01 kJ/mol; (20) Boiling Point: 364 °C at 760 mmHg; (21) Vapour Pressure: 2.74E-06 mmHg at 25 °C; (22) Melting Point: 196-198 °C.

Preparation of Hexanedioic acid,2-amino-: this chemical can be prepared by 4-(5-Oxo-dihydro-furan-2-ylidene)-2-phenyl-4H-oxazol-5-one. This reaction needs reagent Hydriodic acid, Red phosphorus and solvent Acetic acid heating for 2 hours. The yield is 95 %.

Uses of Hexanedioic acid,2-amino-: it is used to produce other chemicals. For example, it is used to produce 2-Acetylamino-hexanedioic acid. The reaction occurs with reagent Sodium carbonate monohydrate and solvent H₂O at ambient temperature for 24 hours. The yield is 78 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. The gas of this chemical can not be breathed. Therefore, you should wear suitable protective clothing and avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCC(N)C(=O)O
(2) InChI: InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
(3) InChIKey: OYIFNHCXNCRBQI-UHFFFAOYAC

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	intraperitoneal	> 500mg/kg (500mg/kg)		Biochemical Pharmacology. Vol. 5, Pg. 108, 1960.