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(p-Ammoniophenyl)ethyl(2-hydroxyethyl)ammonium sulphate

HCID 78023
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1225351-21-2
Standard SMILES
Nc1ccc(CCNCCO)cc1.O=S(=O)(O)O
InChIKey
ISJLPPKOXNTVPP-UHFFFAOYSA-N
Molecular formula
C10H16N2O.H2O4S
Average molar mass
278.33 g/mol
Monoisotopic mass
278.09364285

Names & identifiers

Preferred name
(p-Ammoniophenyl)ethyl(2-hydroxyethyl)ammonium sulphate
IUPAC
2-[2-(4-aminophenyl)ethylamino]ethanol;sulfuric acid

Names & synonyms

(p-Ammoniophenyl)ethyl(2-hydroxyethyl)ammonium sulphateDTXSID3063415EINECS 224-361-0Ethanol, 2-((4-aminophenyl)ethylamino)-, sulfate (1:1)Ethanol, 2-((4-aminophenyl)ethylamino)-, sulfate (1:1) (salt)Ethanol, 2-[(4-aminophenyl)ethylamino]-, sulfate (1:1) (salt)Ethanol, 2-[(4-aminophenyl)ethylamino]-, sulfate (1:1)RefChem:406793DTXCID0040254Ethanol, 2-(4-aminophenyl)ethylamino-, sulfate (1:1) (salt)224-361-04327-84-8
Show more names
1225351-21-22-{[2-(4-aminophenyl)ethyl]amino}ethan-1-ol; sulfuric acid2-[2-(4-aminophenyl)ethylamino]ethanol;sulfuric acidSCHEMBL30116075EINECS 238-664-0AKOS0159153292-(p-Amino-N-ethylanilino)ethanol sulphateNS00081313

Database identifiers

CAS
1225351-21-2、14623-68-8、4327-84-8
PubChem CID
78023
DTXSID
DTXSID3063415
EC Number
224-361-0

Properties

Computed structural properties

Topological polar surface area
141 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
203

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Ethanol, 2-[(4-aminophenyl)ethylamino]-, sulfate (1:1) (salt)

Ethanol, 2-(4-aminophenyl)ethylamino-, sulfate (1:1) (salt): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanol, 2-[(4-aminophenyl)ethylamino]-, sulfate (1:1): ACTIVE

Related reactions

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Compound notes

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