2,2-Difluoro-2-phenylethanamine - CAS 55601-21-3

Catalog:	BB029106
Product Name:	2,2-Difluoro-2-phenylethanamine
CAS:	55601-21-3
Synonyms:	2,2-difluoro-2-phenylethanamine; 2,2-difluoro-2-phenylethanamine

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IUPAC Name:	2,2-difluoro-2-phenylethanamine
Description:	2,2-Difluoro-2-phenylethanamine (CAS# 55601-21-3) is a central nervous system stimulant in mice.
Molecular Weight:	157.16
Molecular Formula:	C8H9F2N
Canonical SMILES:	C1=CC=C(C=C1)C(CN)(F)F
InChI:	InChI=1S/C8H9F2N/c9-8(10,6-11)7-4-2-1-3-5-7/h1-5H,6,11H2
InChI Key:	FZUZAXBAUSXGAV-UHFFFAOYSA-N
MDL:	MFCD11100799
LogP:	2.43740

Publication Number	Title	Priority Date
US-2021179612-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113686-A1	Masp-2 inhibitors and methods of use	20191204
WO-2020264176-A1	Urea derivatives as cb1 allosteric modulators	20190628
WO-2020190791-A1	Inhibiting cyclic amp-responsive element-binding protein (creb)	20190315
US-10851073-B2	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314

PMID	Publication Date	Title	Journal
12966104	20031212	Evidence that dioxygen and substrate activation are tightly coupled in dopamine beta-monooxygenase. Implications for the reactive oxygen species	The Journal of biological chemistry

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.07030562
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.07030562
Rotatable Bond Count:	2
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6