Basic information
- Name:
Hexanedioic acid,2-amino-, (2S)-
- Superlist Name:
- L-2-Aminoadipic acid
- CAS No.:
1118-90-7
- Molecular Structure:
- Formula:
- C6H11NO4
- Molecular Weight:
- 161.16
- Synonyms:
- Hexanedioicacid, 2-amino-, (S)-;Hexanedioic acid, 2-amino-, L- (8CI);(S)-2-Aminoadipicacid;L-Aminoadipic acid;L-a-Aminoadipate;L-a-Aminoadipic acid;
- EINECS:
- 210-960-4
- Density:
- 1.333 g/cm3
- Melting Point:
- 203-205 °C (dec.)(lit.)
- Boiling Point:
- 364 °C at 760 mmHg
- Flash Point:
- 173.9 °C
- Appearance:
- white solid
- Safety Description:
- 22-24/25 Details
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Specification
The CAS registry number of Hexanedioic acid,2-amino-, (2S)- is 1118-90-7. Its EINECS registry number is 210-960-4. In addition, the molecular formula is C6H11NO4 and the molecular weight is 161.16. The IUPAC name is (2S)-2-aminohexanedioic acid. What's more, it is a kind of white solid and belongs to the classes of Biochemistry; non-Proteinorganic Amino Acids. Besides, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about Hexanedioic acid,2-amino-, (2S)- 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)Polarizability: 14.45×10-24cm3; (17)Surface Tension: 63.2 dyne/cm; (18)Density: 1.333 g/cm3; (19)Flash Point: 173.9 °C; (20)Enthalpy of Vaporization: 67.01 kJ/mol; (21)Boiling Point: 364 °C at 760 mmHg; (22)Vapour Pressure: 2.74E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes. In addition, do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC[C@H](N)C(=O)O
(2)Std.InChI: InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
(3)Std.InChIKey: OYIFNHCXNCRBQI-BYPYZUCNSA-N