4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
Basic information
- CAS
51837-85-5- Standard SMILES
COc1ccc(-c2csc(N)n2)cc1OC- InChIKey
QNLNRENPKAQTMJ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.0619488
Names & identifiers
- Preferred name
- 4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
- IUPAC
- 4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
- English name
- 4-(3,4-Dimethoxy-phenyl)-thiazol-2-ylamine
- Molecular formula
- C11H12N2O2S
- Molecular weight
- 236.29
Names & synonyms
4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amineDTXSID40318353RefChem:512863DTXCID80269476809-438-451837-85-54-(3,4-dimethoxyphenyl)thiazol-2-amine4-(3,4-Dimethoxy-phenyl)-thiazol-2-ylamineMFCD010887262-Thiazolamine, 4-(3,4-dimethoxyphenyl)-ZINC17126229NSC329206
Show more names
IFLAB-BB F1386-0384CHEMBRDG-BB 68727134-(3,4-dimethoxyphenyl)-2-thiazolamine4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine(SALTDATA: FREE)
thiazol-2-amine, 7THIAZOL2AMINE72-amino-4-(3,4-dimethoxyphenyl)thiazoleCambridge id 6872713Oprea1_536510Oprea1_639114COc1cc(ccc1OC)c1csc(n1)NSCHEMBL427925
Database identifiers
- CAS
51837-85-5- PubChem CID
- 332397
- DTXSID
DTXSID40318353- ChEMBL
CHEMBL2376760- EC Number
- 809-438-4
- Nikkaji
- J2.473.259B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- form
- solid
- InChI
- 1S/C11H12N2O2S/c1-14-9-4-3-7(5-10(9)15-2)8-6-16-11(12)13-8/h3-6H,1-2H3,(H2,12,13)
- InChIKey
- QNLNRENPKAQTMJ-UHFFFAOYSA-N
- SMILES
- NC1=NC(C2=CC(OC)=C(OC)C=C2)=CS1
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
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