CAS 384858-14-4 N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (HCID 578640)

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Basic information

CAS: 384858-14-4
Standard SMILES: COc1ccc(CNc2nccs2)cc1
InChIKey: YEBFQWDWWRXAOH-UHFFFAOYSA-N
Molecular formula: C11H12N2OS
Average molar mass: 220.29 g/mol
Monoisotopic mass: 220.06703418

Names & identifiers

Preferred name: N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
IUPAC: N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
English name: N-(4-Methoxybenzyl)thiazol-2-amine
Molecular formula: C11H12N2OS
Molecular weight: 220.29

Names & synonyms

N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amineDTXSID501325725N-((4-methoxyphenyl)methyl)-1,3-thiazol-2-amineRefChem:828802DTXCID401755133870-430-9384858-14-4N-(4-methoxybenzyl)thiazol-2-amine(4-Methoxy-benzyl)-thiazol-2-yl-amineN-(4-Methoxybenzyl)-1,3-thiazol-2-amineCBMicro_004327Cambridge id 6125166

Show more names

2-Thiazolamine, N-[(4-methoxyphenyl)methyl]-

Oprea1_558914Oprea1_740854MLS001204989CHEMBL1530212SCHEMBL15011086HMS2820A03JQA85814SMSF0014574

Database identifiers

CAS: 384858-14-4
PubChem CID: 578640
DTXSID: DTXSID501325725
ChEMBL: CHEMBL1530212
EC Number: 870-430-9
Nikkaji: J791.641H

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 62.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 183

Experimental & physicochemical properties

Solubility19.5 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 147.4 · 147.4-148 °C
Boiling point: 371.5 · 371.5±44.0 °C(Predicted)
Density: 1.249 · 1.249±0.06 g/cm3(Predicted)
pka: 4.38 · 4.38±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H302-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P