2-Amino-4-bromobenzyl Alcohol - CAS 946122-05-0

Catalog:	BB041430
Product Name:	2-Amino-4-bromobenzyl Alcohol
CAS:	946122-05-0
Synonyms:	(2-amino-4-bromophenyl)methanol; (2-amino-4-bromophenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(2-amino-4-bromophenyl)methanol
Description:	2-Amino-4-bromobenzyl Alcohol (CAS# 946122-05-0) is a useful research chemical.
Molecular Weight:	202.05
Molecular Formula:	C7H8BrNO
Canonical SMILES:	C1=CC(=C(C=C1Br)N)CO
InChI:	InChI=1S/C7H8BrNO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4,9H2
InChI Key:	JHLFDAZFHWATIS-UHFFFAOYSA-N
Boiling Point:	347.821 °C at 760 mmHg
Density:	1.66 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	2.10480

Publication Number	Title	Priority Date
WO-2020087202-A1	3-(1h-pyrazol-4-yl)pyridine allosteric modulators of m4 muscarinic acetylcholine receptor	20181029
WO-2020092102-A2	3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor	20181029
EP-3873467-A2	3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor	20181029
CA-3050056-A1	Rorgamma modulators and uses thereof	20170127
EP-3573972-A1	Rorgamma modulators and uses thereof	20170127

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.97893
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	200.97893
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6