6-(1-methylethyl)-2-pyridinamine - CAS 78177-12-5

Catalog:	BB036124
Product Name:	6-(1-methylethyl)-2-pyridinamine
CAS:	78177-12-5
Synonyms:	6-propan-2-yl-2-pyridinamine; 6-propan-2-ylpyridin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	6-propan-2-ylpyridin-2-amine
Description:	6-(1-methylethyl)-2-pyridinamine (CAS# 78177-12-5) is a useful research chemical.
Molecular Weight:	136.19
Molecular Formula:	C8H12N2
Canonical SMILES:	CC(C)C1=NC(=CC=C1)N
InChI:	InChI=1S/C8H12N2/c1-6(2)7-4-3-5-8(9)10-7/h3-6H,1-2H3,(H2,9,10)
InChI Key:	HAHXPMFFMRTIJV-UHFFFAOYSA-N
Boiling Point:	224.79 °C at 760 mmHg
Density:	1.009 g/cm³
LogP:	2.36840

Publication Number	Title	Priority Date
US-2021177856-A1	Use of atr inhibitors in combination with parp inhibitors	20191211
WO-2021119523-A1	Use of atr inhibitors in combination with parp inhibitors	20191211
WO-2021023813-A1	5-heteroaryl-pyridin-2-amine confounds as neuropeptide ff receptor antagonists	20190806
WO-2021012049-A1	Substituted 2-morpholinopyridine derivatives as atr kinase inhibitors	20190722
WO-2020192581-A1	Wee1 inhibitor and preparation and use thereof	20190322

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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:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.100048391
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	136.100048391
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7