-
Name
AMINO-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-ACETIC ACID
- EINECS
- CAS No. 73101-09-4
- Density 1.392 g/cm3
- Solubility
- Melting Point
- Formula C10H11NO4
- Boiling Point 382.8 °C at 760 mmHg
- Molecular Weight 209.20
- Flash Point 185.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms AMINO(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)ACETIC ACID;AMINO-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-ACETIC ACID;2-aMino-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetic acid;alpha-Amino-2,3-dihydro-1,4-benzodioxin-6-acetic acid
- PSA 81.78000
- LogP 1.24250
1,4-Benzodioxin-6-aceticacid, a-amino-2,3-dihydro- Specification
This chemical is called 1,4-Benzodioxin-6-aceticacid, a-amino-2,3-dihydro-, and its systematic name is Amino(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid. With the molecular formula of C10H11NO4, its molecular weight is 209.20. The CAS registry number of this chemical is 73101-09-4. Additionally, its product category is Pharmacetical.
Other characteristics of the 1,4-Benzodioxin-6-aceticacid, a-amino-2,3-dihydro- can be summarised as followings: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.89; (4)ACD/LogD (pH 7.4): -1.9; (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: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 51.67 cm3; (15)Molar Volume: 150.2 cm3; (16)Polarizability: 20.48×10-24cm3; (17)Surface Tension: 66.3 dyne/cm; (18)Density: 1.392 g/cm3; (19)Flash Point: 185.3 °C; (20)Enthalpy of Vaporization: 66.59 kJ/mol; (21)Boiling Point: 382.8 °C at 760 mmHg; (22)Vapour Pressure: 1.52E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(c1ccc2OCCOc2c1)N
2.InChI: InChI=1/C10H11NO4/c11-9(10(12)13)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5,9H,3-4,11H2,(H,12,13)
3.InChIKey: BNLLZPGNWVELHB-UHFFFAOYAS
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