Basic information
- CAS
351982-44-0- Standard SMILES
CC(C)Cc1ccc(-c2csc(N)n2)cc1- InChIKey
QHFXFYBCBXWOGR-UHFFFAOYSA-N- Molecular formula
- C13H16N2S
- Average molar mass
- 232.35 g/mol
- Monoisotopic mass
- 232.10341969
Names & identifiers
- Preferred name
- 4-(4-Isobutylphenyl)-1,3-thiazol-2-amine
- IUPAC
- 4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
- English name
- 4-(4-Isobutylphenyl)-1,3-thiazol-2-amine
- Molecular formula
- C13H16N2S
- Molecular weight
- 232.34
Names & synonyms
4-(4-isobutylphenyl)-1,3-thiazol-2-amine351982-44-0DTXSID30357857RefChem:288064DTXCID603089134-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amineMFCD014715744-(4-Isobutylphenyl)thiazol-2-amine4-(4-Isobutylphenyl)thiazol-2-ylamineCambridge id 57724512-Thiazolamine, 4-[4-(2-methylpropyl)phenyl]-Oprea1_401354
Show more names
4-(4-isobutylphenyl)-1,3-thiazol-2-amine(SALTDATA: FREE)
SCHEMBL474305QHFXFYBCBXWOGR-UHFFFAOYSA-NALBB-001553BBL015645STK415820AKOS000263432CCG-324417VS-04986
Database identifiers
- CAS
351982-44-0- PubChem CID
- 869862
- DTXSID
DTXSID30357857- EC Number
- 672-131-7
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 112 · 112-116 °C(Solv: methanol (67-56-1))
- Boiling point
- 391 · 391.0±21.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- 4.43 · 4.43±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): 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)
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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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