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19997-54-7

Basic Information
CAS No.: 19997-54-7
Name: 2-Benzofuranmethanamine,2,3-dihydro-, hydrochloride (1:1)
Molecular Structure:
Molecular Structure of 19997-54-7 (2-Benzofuranmethanamine,2,3-dihydro-, hydrochloride (1:1))
Formula: C9H12ClNO
Molecular Weight: 185.6507
Synonyms: 1-(2,3-Dihydro-1-benzofuran-2-yl)methanamine hydrochloride;
EINECS: N/A
Density: N/A
Melting Point: 258-259 °C
Boiling Point: 256.3 °C at 760 mmHg
Flash Point: 117.5 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety:
Transport Information: N/A
PSA: 35.25000
LogP: 2.45110
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Specification

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