1,2-Benzisoxazol-3-amine,4-methoxy- supplier

Name
4-METHOXY-1,2-BENZISOXAZOL-3-AMINE
EINECS
CAS No. 177995-40-3
Article Data3
CAS DataBase
Density 1.304 g/cm³
Solubility
Melting Point 140 °C
Formula C₈H₈N₂O₂
Boiling Point 348.9 °C at 760 mmHg
Molecular Weight 164.164
Flash Point 164.8 °C
Transport Information
Appearance
Safety 26
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Amino-4-methoxybenzo[d]isoxazole;4-Methoxy-1,2-benzisoxazol-3-amine;
PSA 61.28000
LogP 1.99980

1,2-Benzisoxazol-3-amine,4-methoxy- Specification

This chemical is called 1,2-Benzisoxazol-3-amine,4-methoxy-, and its systematic name is 4-methoxy-1,2-benzisoxazol-3-amine. With the molecular formula of C₈H₈N₂O₂, its molecular weight is 164.16. The CAS registry number of this chemical is 177995-40-3. Additionally, its product category is Oxazole.

Other characteristics of the 1,2-Benzisoxazol-3-amine,4-methoxy- can be summarised as followings: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.08; (8)ACD/KOC (pH 7.4): 33.13; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.5 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 45.4 cm³; (15)Molar Volume: 125.8 cm³; (16)Polarizability: 17.99×10^-24cm³; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.304 g/cm³; (19)Flash Point: 164.8 °C; (20)Enthalpy of Vaporization: 59.33 kJ/mol; (21)Boiling Point: 348.9 °C at 760 mmHg; (22)Vapour Pressure: 4.88E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n2oc1cccc(OC)c1c2N
2.InChI: InChI=1/C8H8N2O2/c1-11-5-3-2-4-6-7(5)8(9)10-12-6/h2-4H,1H3,(H2,9,10)
3.InChIKey: YFNIGSJHKGKXEQ-UHFFFAOYAI

Product Name

4-METHOXY-1,2-BENZISOXAZOL-3-AMINE

1,2-Benzisoxazol-3-amine,4-methoxy- Specification

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