Isoquinolinium,2-(phenylmethyl)-, bromide (1:1) supplier

Name
2-BENZYLISOQUINOLINIUM BROMIDE
EINECS
CAS No. 23277-04-5
Article Data19
CAS DataBase
Density
Solubility
Melting Point 110-111.5 °C
Formula C₁₆H₁₄N.Br
Boiling Point
Molecular Weight 300.198
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Benzylisoquinoliniumbromide (7CI);Isoquinolinium, 2-(phenylmethyl)-, bromide (9CI);Isoquinolinium, 2-benzyl-, bromide (8CI);N-Benzylisoquinolinium bromide;2-Benzylisoquinolinium bromide;Benzylisoquinoliniumbromide;NSC131465;CID10968580;
PSA 3.88000
LogP 0.17960

Isoquinolinium,2-(phenylmethyl)-, bromide (1:1) Specification

The Isoquinolinium,2-(phenylmethyl)-, bromide (1:1) with CAS registry number of 23277-04-5 is also known as N-Benzylisoquinolinium bromide. The IUPAC name is 2-Benzylisoquinolin-2-ium bromide. In addition, the formula is C₁₆H₁₄N.Br and the molecular weight is 300.19.

Physical properties about Isoquinolinium,2-(phenylmethyl)-, bromide (1:1) are: (1)ACD/LogP: -1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 5; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.88Å².

You can still convert the following datas into molecular structure:
1. SMILES: [Br-].c2c1ccccc1cc[n+]2Cc3ccccc3
2. InChI: InChI=1/C16H14N.BrH/c1-2-6-14(7-3-1)12-17-11-10-15-8-4-5-9-16(15)13-17;/h1-11,13H,12H2;1H/q+1;/p-1
3. InChIKey: HIGCDVRJXBJGLM-REWHXWOFAA
4. Std. InChI: InChI=1S/C16H14N.BrH/c1-2-6-14(7-3-1)12-17-11-10-15-8-4-5-9-16(15)13-17;/h1-11,13H,12H2;1H/q+1;/p-1
5. Std. InChIKey: HIGCDVRJXBJGLM-UHFFFAOYSA-M

Product Name

2-BENZYLISOQUINOLINIUM BROMIDE

Isoquinolinium,2-(phenylmethyl)-, bromide (1:1) Specification

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