3-Amino-3-(2-pyridyl)-1-propanol - CAS 1270470-82-0

Catalog:	BB006722
Product Name:	3-Amino-3-(2-pyridyl)-1-propanol
CAS:	1270470-82-0
Synonyms:	3-amino-3-(2-pyridinyl)-1-propanol; 3-amino-3-pyridin-2-ylpropan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	3-amino-3-pyridin-2-ylpropan-1-ol
Description:	3-Amino-3-(2-pyridyl)-1-propanol (CAS# 1270470-82-0 ) is a useful research chemical.
Molecular Weight:	152.19
Molecular Formula:	C8H12N2O
Canonical SMILES:	C1=CC=NC(=C1)C(CCO)N
InChI:	InChI=1S/C8H12N2O/c9-7(4-6-11)8-3-1-2-5-10-8/h1-3,5,7,11H,4,6,9H2
InChI Key:	IHEKDUZNUUGMPX-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2020347009-A1	Bicyclic compounds	20190416
WO-2020214734-A1	Bicyclic compounds	20190416

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.094963011
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	152.094963011
Rotatable Bond Count:	3
Topological Polar Surface Area:	59.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5