1-(2-Pyridyl)-1,4-diazepane - CAS 287114-32-3

Name: 1-(2-Pyridyl)-1,4-diazepane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019920
Product Name:	1-(2-Pyridyl)-1,4-diazepane
CAS:	287114-32-3
Synonyms:	1-(2-pyridinyl)-1,4-diazepane; 1-pyridin-2-yl-1,4-diazepane

Technical Data

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Computed Properties

IUPAC Name:	1-pyridin-2-yl-1,4-diazepane
Description:	1-(2-Pyridyl)-1,4-diazepane (CAS# 287114-32-3) is a useful research chemical.
Molecular Weight:	177.25
Molecular Formula:	C10H15N3
Canonical SMILES:	C1CNCCN(C1)C2=CC=CC=N2
InChI:	InChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2
InChI Key:	YIVVBOYHOANILT-UHFFFAOYSA-N
Boiling Point:	324.5 °C at 760 mmHg
Density:	1.05 g/cm³
Appearance:	Solid
MDL:	MFCD06409204
LogP:	1.27510

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Related Functional Groups

Pyridines

[14993-80-7]C8H8N2
2-(6-Methylpyridin-2-yl)acetonitrile
[149463-07-0]C6H6Cl2FN
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[942206-23-7]C5H2Cl2IN
2,5-Dichloro-3-iodopyridine
[4926-28-7]C6H6BrN
2-Bromo-4-methylpyridine
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[144584-32-7]C5H2BrCl2N
3-Bromo-2,4-dichloropyridine

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Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.126597491
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.126597491
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1