Basic Information | Post buying leads | Suppliers |
Name |
2-Benzofuranmethanamine,2,3-dihydro-, hydrochloride (1:1) |
EINECS | N/A |
CAS No. | 19997-54-7 | Density | N/A |
PSA | 35.25000 | LogP | 2.45110 |
Solubility | N/A | Melting Point |
258-259 °C |
Formula | C9H12ClNO | Boiling Point | 256.3 °C at 760 mmHg |
Molecular Weight | 185.6507 | Flash Point | 117.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-(2,3-Dihydro-1-benzofuran-2-yl)methanamine hydrochloride; |
The 2-Benzofuranmethanamine,2,3-dihydro-, hydrochloride (1:1), with the CAS registry number 19997-54-7, is also known as 1-(2,3-Dihydro-1-benzofuran-2-yl)methanamine hydrochloride. This chemical's molecular formula is C9H12ClNO and molecular weight is 185.6507. What's more, its systematic name is called 2,3-Dihydro-1-benzofuran-2-ylmethanaminium chloride. Its classification code is Drug/Therapeutic Agent.
Physical properties about 2-Benzofuranmethanamine,2,3-dihydro-, hydrochloride (1:1) are: (1)ACD/LogP: 1.08; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.92; (4)ACD/LogD (pH 7.4): -0.7; (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): 1.54; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23Å2; (13)Flash Point: 117.5 °C; (14)Enthalpy of Vaporization: 49.38 kJ/mol; (15)Boiling Point: 256.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0155 mmHg at 25 °C; (17)Melting Point: 258-259 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].O2c1ccccc1CC2C[NH3+]
(2) InChI: InChI=1/C9H11NO.ClH/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-4,8H,5-6,10H2;1H
(3) InChIKey: VLQHTBMTNLHCAE-UHFFFAOYAY
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intraperitoneal | 200mg/kg (200mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION | Yakugaku Zasshi. Journal of Pharmacy. Vol. 91, Pg. 603, 1971. Link to PubMed |