Benzoic acid, 3-amino-,2-propen-1-yl ester supplier

Name
ALLYL-3-AMINO BENZOATE
EINECS
CAS No. 56768-05-9
Article Data3
CAS DataBase
Density 1.123 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁NO₂
Boiling Point 300.7 °C at 760 mmHg
Molecular Weight 177.203
Flash Point 156.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anthranilic acid, allyl ester (8CI);Allyl 2-aminobenzoate;
PSA 52.32000
LogP 2.19280

Benzoic acid, 3-amino-,2-propen-1-yl ester Specification

The Benzoic acid, 3-amino-,2-propen-1-yl ester, with the CAS registry number 56768-05-9, is also known as Allyl 2-aminobenzoate and Anthranilic acid, allyl ester (8CI). This chemical's molecular formula is C₁₀H₁₁NO₂ and molecular weight is 177.2. What's more, its systematic name is called Prop-2-en-1-yl 2-aminobenzoate.

Physical properties about Benzoic acid, 3-amino-,2-propen-1-yl ester are: (1)ACD/LogP: 2.87; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 88.8; (6)ACD/BCF (pH 7.4): 88.8; (7)ACD/KOC (pH 5.5): 863.54; (8)ACD/KOC (pH 7.4): 863.55; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 51.25 cm³; (15)Molar Volume: 157.7 cm³; (16)Polarizability: 20.31×10^-24 cm³; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.123 g/cm³; (19)Flash Point: 156.1 °C; (20)Enthalpy of Vaporization: 54.08 kJ/mol; (21)Boiling Point: 300.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0011 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC\C=C)c1ccccc1N
(2) InChI: InChI=1/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2
(3) InChIKey: UCANFCXAKYMFGA-UHFFFAOYAH

Product Name

ALLYL-3-AMINO BENZOATE

Benzoic acid, 3-amino-,2-propen-1-yl ester Specification

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