3-Amino-3-(4-fluorophenyl)-1-propanol - CAS 612532-52-2

Catalog:	BB031019
Product Name:	3-Amino-3-(4-fluorophenyl)-1-propanol
CAS:	612532-52-2
Synonyms:	3-amino-3-(4-fluorophenyl)-1-propanol; 3-amino-3-(4-fluorophenyl)propan-1-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-amino-3-(4-fluorophenyl)propan-1-ol
Description:	3-Amino-3-(4-fluorophenyl)-1-propanol (CAS# 612532-52-2) is a useful research reagent used in the synthesis of series of iminoheterocycles as γ-secretase modulators.
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
InChI Key:	CCJPLYPJQZYBLI-UHFFFAOYSA-N
Boiling Point:	296.8 °C at 760 mmHg
Density:	1.167 g/cm³
MDL:	MFCD03412718
LogP:	1.90820

Publication Number	Title	Priority Date
WO-2021094208-A1	Substituted imidazo pyrimidine ep3 antagonists	20191112
WO-2021094209-A1	Substituted pyrrolo triazine carboxamide derivatives as prostaglandin ep3 receptor antagonists	20191112
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

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Related Functional Groups

Alcohols and Derivatives

[77987-49-6]
Z-Glycinol
[108100-06-7]
(S)-1-(2-Methoxyphenyl)ethanol
[2006278-33-5]
2-(6-Methoxy-2-naphthyl)-4-pentyn-2-ol
[5272-36-6]
3-(Trimethylsilyl)propargyl alcohol
[2892-51-5]
3,4-Dihydroxy-3-cyclobutene-1,2-dione
[155310-11-5]
3-Amino-2,2-difluoro-1-propanol

GHS Hazard Statement:	H302 (50%): 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:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
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 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6