(S)-3-Amino-3-(4-fluorophenyl)-1-propanol - CAS 228422-49-9

Catalog:	BB017772
Product Name:	(S)-3-Amino-3-(4-fluorophenyl)-1-propanol
CAS:	228422-49-9
Synonyms:	(3S)-3-amino-3-(4-fluorophenyl)-1-propanol; (3S)-3-amino-3-(4-fluorophenyl)propan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	(3S)-3-amino-3-(4-fluorophenyl)propan-1-ol
Description:	(S)-3-Amino-3-(4-fluorophenyl)-1-propanol (CAS# 228422-49-9) is used in the preparation of aminopyrimidine derivatives as modulators of kinase activity.
Molecular Weight:	169.20
Molecular Formula:	C9H12FNO
Canonical SMILES:	C1=CC(=CC=C1C(CCO)N)F
InChI:	InChI=1S/C9H12FNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m0/s1
InChI Key:	CCJPLYPJQZYBLI-VIFPVBQESA-N
Boiling Point:	296.8 °C at 760 mmHg
Density:	1.167 g/cm³
LogP:	1.90820

Publication Number	Title	Priority Date
WO-2019219517-A1	Substituted dihydropyrazolo pyrazine carboxamide derivatives	20180517
AU-2019270142-A1	Substituted dihydropyrazolo pyrazine carboxamide derivatives	20180517
TW-202012408-A	Substituted dihydropyrazolopyridine carboxamide derivatives	20180517
BR-112020021612-A2	substituted dihydropyrazole pyrazine carboxamide derivatives	20180517
CN-112469412-A	Substituted dihydropyrazolopyrazine carboxamide derivatives	20180517

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	169.090292168
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	169.090292168
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6