3-Amino-6-isopropylpyridine - CAS 405103-02-8

Catalog:	BB024545
Product Name:	3-Amino-6-isopropylpyridine
CAS:	405103-02-8
Synonyms:	6-propan-2-yl-3-pyridinamine; 6-propan-2-ylpyridin-3-amine

Technical Data

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Computed Properties

IUPAC Name:	6-propan-2-ylpyridin-3-amine
Description:	3-Amino-6-isopropylpyridine (CAS# 405103-02-8) is used to prepare quinolinonecarboxamides as modulators of ATP-binding CASsette transporters.
Molecular Weight:	136.19
Molecular Formula:	C8H12N2
Canonical SMILES:	CC(C)C1=NC=C(C=C1)N
InChI:	InChI=1S/C8H12N2/c1-6(2)8-4-3-7(9)5-10-8/h3-6H,9H2,1-2H3
InChI Key:	XYGFISRAXLLACA-UHFFFAOYSA-N
Boiling Point:	255.135 °C at 760 mmHg
Density:	1.009 g/cm³
MDL:	MFCD08460245
LogP:	2.36840

Publication Number	Title	Priority Date
WO-2021032992-A1	Pharmaceutical compounds	20190820
WO-2021011713-A1	Imidazopyrimidines as eed inhibitors and the use thereof	20190716
WO-2020223255-A1	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429
TW-202106669-A	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429
TW-202104198-A	Rad51 inhibitors	20190312

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, 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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3