1-(3-Pyridyl)ethylamine - CAS 56129-55-6

Catalog:	BB029262
Product Name:	1-(3-Pyridyl)ethylamine
CAS:	56129-55-6
Synonyms:	1-(3-pyridinyl)ethanamine; 1-pyridin-3-ylethanamine

Technical Data

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Computed Properties

IUPAC Name:	1-pyridin-3-ylethanamine
Description:	1-(3-Pyridyl)ethylamine (CAS# 56129-55-6) is a useful research chemical.
Molecular Weight:	122.17
Molecular Formula:	C7H10N2
Canonical SMILES:	CC(C1=CN=CC=C1)N
InChI:	InChI=1S/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2-6H,8H2,1H3
InChI Key:	IQVQNBXPYJGNEA-UHFFFAOYSA-N
Boiling Point:	221 °C at 760 mmHg
Density:	1.018 g/cm³
MDL:	MFCD01691641
LogP:	1.80160

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GHS Hazard Statement:	H301 (84.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P272, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	83
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.084398327
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.084398327
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1