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Basic Information
CAS No.: 7464-97-3
Name: 1,3-Benzodioxole-5-methanol,α-(aminomethyl)-
Molecular Structure:
Molecular Structure of 7464-97-3 (1,3-Benzodioxole-5-methanol,α-(aminomethyl)-)
Formula: C9H11NO3
Molecular Weight: 181.191
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;
Density: 1.338 g/cm3
Boiling Point: 374.3 °C at 760 mmHg
Flash Point: 180.1 °C
Hazard Symbols: Xi
Risk Codes: 36-51
Safety: 26
PSA: 64.71000
LogP: 1.10770
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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: 18.64×10-24 cm3; (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