(S)-4-Aminochromane Hydrochloride - CAS 1035093-81-2

Catalog:	BB001162
Product Name:	(S)-4-Aminochromane Hydrochloride
CAS:	1035093-81-2
Synonyms:	(4S)-3,4-dihydro-2H-1-benzopyran-4-amine;hydrochloride; (4S)-3,4-dihydro-2H-chromen-4-amine;hydrochloride

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Computed Properties

IUPAC Name:	(4S)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
Description:	(S)-4-Aminochromane Hydrochloride (CAS# 1035093-81-2) is a useful research chemical.
Molecular Weight:	185.65
Molecular Formula:	C9H12ClNO
Canonical SMILES:	C1COC2=CC=CC=C2C1N.Cl
InChI:	InChI=1S/C9H11NO.ClH/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-4,8H,5-6,10H2;1H/t8-;/m0./s1
InChI Key:	BVMKYKMJUZEGBU-QRPNPIFTSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.97120

Publication Number	Title	Priority Date
WO-2021018839-A1	Isoquinoline derivatives and their use for the treatment of parasitic infections	20190730
WO-2020131629-A1	Bicyclic derivatives	20181218
WO-2020131631-A1	Bicyclic derivatives	20181218
CN-113490527-A	Bicyclic derivatives	20181218
EP-3897842-A1	Bicyclic derivatives	20181218

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Related Functional Groups

Benzopyrans

[1220531-63-4]
(2R)-6-Bromo-2,3-dihydro-2-phenyl-4H-1-benzopyran-4-one
[1429939-32-1]
[20-Bis(4-methylphenyl)phosphanyl-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaen-4-yl]-bis(4-methylphenyl)phosphane
[1360823-43-3]
(20-Diphenylphosphanyl-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaen-4-yl)-diphenylphosphane
[182949-89-9]
5-Bromoisochroman
[1955532-03-2]
6-Bromo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine] hydrochloride
[2051-59-4]
6-Chloro-2H-chromen-2-one

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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:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0607417
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	185.0607417
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0