3-(Difluoromethoxy)-1-propylamine - CAS 1592913-04-6

Catalog:	BB011516
Product Name:	3-(Difluoromethoxy)-1-propylamine
CAS:	1592913-04-6
Synonyms:	3-(difluoromethoxy)-1-propanamine; 3-(difluoromethoxy)propan-1-amine

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Computed Properties

IUPAC Name:	3-(difluoromethoxy)propan-1-amine
Description:	3-(Difluoromethoxy)-1-propylamine (CAS# 1592913-04-6) is a useful research chemical.
Molecular Weight:	125.12
Molecular Formula:	C4H9F2NO
Canonical SMILES:	C(CN)COC(F)F
InChI:	InChI=1S/C4H9F2NO/c5-4(6)8-3-1-2-7/h4H,1-3,7H2
InChI Key:	NGOXWLLNLLNQFF-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020128036-A1	Modulators of the adenosine a2a receptor	20181221
AU-2016263083-A1	Benzimidazole and imadazopyridine carboximidamide compounds having activity as inhibitors of indoleamine 2,3-dioxygenase	20150515
AU-2016263083-B2	Benzimidazole and imadazopyridine carboximidamide compounds having activity as inhibitors of indoleamine 2,3-dioxygenase	20150515
CA-2985642-A1	Benzimidazole and imadazopyridine carboximidamide compounds having activity as inhibitors of indoleamine 2,3-dioxygenase	20150515
EP-3294732-A1	Benzimidazole and imadazopyridine carboximidamide compounds having activity as inhibitors of indoleamine 2,3-dioxygenase	20150515

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	51.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.06522023
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.06522023
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4