-
Name
3-Aminoadipic acid
- EINECS
- CAS No. 40967-78-0
- Article Data10
- CAS DataBase
- Density 1.333 g/cm3
- Solubility
- Melting Point 205 °C (dec.)(lit.)
- Formula C6H11NO4
- Boiling Point 375.5 °C at 760 mmHg
- Molecular Weight 161.16
- Flash Point 180.9 °C
- Transport Information
- Appearance
- Safety 26-36
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Hexanedioic acid, 3-amino-;
- PSA 100.62000
- LogP 0.35350
3-Aminoadipic acid Specification
The 3-Aminoadipic acid, with the CAS registry number 40967-78-0, is also known as Hexanedioic acid, 3-amino-. This chemical's molecular formula is C6H11NO4 and molecular weight is 161.16. What's more, its systematic name is 3-Aminohexanedioic acid.
Physical properties about 3-Aminoadipic acid are: (1)ACD/LogP: -0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 55.84 Å2; (11)Index of Refraction: 1.515; (12)Molar Refractivity: 36.46 cm3; (13)Molar Volume: 120.8 cm3; (14)Polarizability: 14.45×10-24 cm3; (15)Surface Tension: 63.2 dyne/cm; (16)Density: 1.333 g/cm3; (17)Flash Point: 180.9 °C; (18)Enthalpy of Vaporization: 68.41 kJ/mol; (19)Boiling Point: 375.5 °C at 760 mmHg; (20)Vapour Pressure: 1.13E-06 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, 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)CCC(N)CC(=O)O
(2) InChI: InChI=1/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
(3) InChIKey: XABCFXXGZPWJQP-UHFFFAOYAS
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