1,3-Benzodioxole-5-methanol,α-(aminomethyl)- supplier

Name
1,3-Benzodioxole-5-methanol,α-(aminomethyl)-
EINECS
CAS No. 7464-97-3
Article Data9
CAS DataBase
Density 1.338 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₃
Boiling Point 374.3 °C at 760 mmHg
Molecular Weight 181.191
Flash Point 180.1 °C
Transport Information
Appearance
Safety 26
Risk Codes 36-51
Molecular Structure
Hazard Symbols Xi
Synonyms Piperonylalcohol, α-(aminomethyl)- (7CI,8CI);1-(1,3-Benzodioxol-5-yl)-2-aminoethanol;NSC 400140;2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol;2-Amino-1-(1,3-benzodioxol-5-yl)ethanol;
PSA 64.71000
LogP 1.10770

1,3-Benzodioxole-5-methanol,α-(aminomethyl)- Specification

The 1,3-Benzodioxole-5-methanol,α-(aminomethyl)-, with the CAS registry number 7464-97-3, is also known as 2-Amino-1-benzo[1,3]dioxol-5-yl-ethanol. It belongs to the product category of pharmacetical. This chemical's molecular formula is C₉H₁₁NO₃ and molecular weight is 181.19. What's more, its systematic name is 2-Amino-1-(1,3-benzodioxol-5-yl)ethanol.

Physical properties of 1,3-Benzodioxole-5-methanol,α-(aminomethyl)- are: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 30.93 Å²; (7)Index of Refraction: 1.611; (8)Molar Refractivity: 47.03 cm³; (9)Molar Volume: 135.3 cm³; (10)Polarizability: 18.64×10^-24cm³; (11)Surface Tension: 64.5 dyne/cm; (12)Density: 1.338 g/cm³; (13)Flash Point: 180.1 °C; (14)Enthalpy of Vaporization: 65.58 kJ/mol; (15)Boiling Point: 374.3 °C at 760 mmHg; (16)Vapour Pressure: 2.89E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C(CN)O
(2)InChI: InChI=1S/C9H11NO3/c10-4-7(11)6-1-2-8-9(3-6)13-5-12-8/h1-3,7,11H,4-5,10H2
(3)InChIKey: NFDJYUZZSPJWLV-UHFFFAOYSA-N

Product Name

1,3-Benzodioxole-5-methanol,α-(aminomethyl)-

1,3-Benzodioxole-5-methanol,α-(aminomethyl)- Specification

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