CAS 110-51-0

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pyridin-1-ium-1-ylboranuide

2.1.2 InChI

InChI=1S/C5H8BN/c6-7-4-2-1-3-5-7/h1-5H,6H3

2.1.3 InChI Key

LPGWNCNRGQANGC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

[BH3-][N+]1=CC=CC=C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Pyridin-1-ium-1-yltrihydroborate

2. Pyridine Borane (1:1)

3. Einecs 203-773-4

4. Nsc 10219

5. Unii-8jxe4c7uex

6. Pyridinium-1-yltrihydroborate

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₈BN
Molecular Weight	92.94 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	3.9
Heavy Atom Count	7
Formal Charge	0
Complexity	50
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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