5-Bromotryptamine Hydrochloride - CAS 81868-12-4

Catalog:	BB036719
Product Name:	5-Bromotryptamine Hydrochloride
CAS:	81868-12-4
Synonyms:	2-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride; 2-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride

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Computed Properties

IUPAC Name:	2-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
Description:	5-Bromotryptamine Hydrochloride (CAS# 81868-12-4) is a useful research chemical.
Molecular Weight:	275.57
Molecular Formula:	C10H12BrClN2
Canonical SMILES:	C1=CC2=C(C=C1Br)C(=CN2)CCN.Cl
InChI:	InChI=1S/C10H11BrN2.ClH/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H
InChI Key:	QUPXCOYSKSUJPX-UHFFFAOYSA-N
Boiling Point:	419.9 °C at 760 mmHg
Appearance:	Pale yellow crystalline powder
MDL:	MFCD00152022
LogP:	3.93390

Publication Number	Title	Priority Date
US-10064869-B2	MTH1 inhibitors for treatment of inflammatory and autoimmune conditions	20140604
US-10632125-B2	MTH1 inhibitors for treatment of inflammatory and autoimmune conditions	20140604
US-2017196873-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	20140604
US-2019000856-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	20140604
TW-201323425-A	Antibacterial porphyrin compound	20111104

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Related Functional Groups

Indoles

[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[119910-45-1]
2-bromo-1H-indole-3-carbaldehyde
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate
[927181-98-4]
Ethyl 3-formyl-1H-indole-7-carboxylate
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate
[1670-87-7]
Indole-5-carboxamide

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.98724
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	273.98724
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0