3-Amino-3-(4-bromophenyl)-1-propanol - CAS 787615-14-9

Catalog:	BB036240
Product Name:	3-Amino-3-(4-bromophenyl)-1-propanol
CAS:	787615-14-9
Synonyms:	3-amino-3-(4-bromophenyl)-1-propanol; 3-amino-3-(4-bromophenyl)propan-1-ol

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Computed Properties

IUPAC Name:	3-amino-3-(4-bromophenyl)propan-1-ol
Description:	3-Amino-3-(4-bromophenyl)-1-propanol (CAS# 787615-14-9 ) is a useful research chemical.
Molecular Weight:	230.10
Molecular Formula:	C9H12BrNO
Canonical SMILES:	C1=CC(=CC=C1C(CCO)N)Br
InChI:	InChI=1S/C9H12BrNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2
InChI Key:	XWXQMFXVRNFZOH-UHFFFAOYSA-N
Boiling Point:	348.6 °C at 760 mmHg
Density:	1.466 g/cm³
LogP:	2.53160

Publication Number	Title	Priority Date
WO-2020236688-A1	Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes	20190522
WO-2020102576-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116
TW-202033504-A	Compounds and compositions for treating conditions associated with nlrp activity	20181116
EP-3880659-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116
AU-2008319310-A1	Biphenyl derivatives as modulators of the histamine-H3 receptor useful for the treatment of disorders related thereto	20071030

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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:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.01023
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	229.01023
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2