2-Benzofuranmethanamine,2,3-dihydro-, hydrochloride (1:1) supplier

Name
1-(2,3-DIHYDRO-1-BENZOFURAN-2-YL)METHANAMINE HYDROCHLORIDE
EINECS
CAS No. 19997-54-7
Density
Solubility
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
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(2,3-Dihydro-1-benzofuran-2-yl)methanamine hydrochloride;
PSA 35.25000
LogP 2.45110

2-Benzofuranmethanamine,2,3-dihydro-, hydrochloride (1:1) 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

Product Name

1-(2,3-DIHYDRO-1-BENZOFURAN-2-YL)METHANAMINE HYDROCHLORIDE

2-Benzofuranmethanamine,2,3-dihydro-, hydrochloride (1:1) Specification

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