2-Amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole
Basic information
- CAS
87999-04-0- Standard SMILES
Nc1nc(-c2ccc3c(c2)CCCC3)cs1- InChIKey
XCDNQJNJCJJQEC-UHFFFAOYSA-N- Molecular formula
- C13H14N2S
- Average molar mass
- 230.33 g/mol
- Monoisotopic mass
- 230.08776963
Names & identifiers
- Preferred name
- 2-Amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole
- IUPAC
- 4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
- English name
- 4-(5,6,7,8-Tetrahydro-naphthalen-2-yl)-thiazol-2-ylamine
- Molecular formula
- C13H14N2S
- Molecular weight
- 230.33
Names & synonyms
2-Amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazoleRefChem:464172635-824-587999-04-04-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiazol-2-amine4-(5,6,7,8-Tetrahydro-naphthalen-2-yl)thiazol-2-ylamineMFCD01804671Enamine_005054MLS000098341SCHEMBL7230888CHEMBL1479449
Show more names
AURORA 223712-Amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole 97%2-Amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole,97%2-Thiazolamine, 4-(5,6,7,8-tetrahydro-2-naphthalenyl)-4-(5,6,7,8-Tetrahydro-aphthalen-2-yl)thiazol-2-ylamine4-(5,6,7,8-Tetrahydro-naphthalen-2-yl)-thiazol-2-ylamine4-(5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)-1,3-THIAZOL-2-AMINE
4-tetralin-6-ylthiazol-2-amine4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiazol-2-ylamineDTXSID40352737XCDNQJNJCJJQEC-UHFFFAOYSA-NHMS1408F16HMS2343A12STK887558AKOS000116037
Database identifiers
- CAS
87999-04-0- PubChem CID
- 735091
- DTXSID
DTXSID40352737- ChEMBL
CHEMBL1479449- EC Number
- 635-824-5
- Nikkaji
- J600.687F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 105 · 105-110 °C
- Boiling point
- 435.3 · 435.3±34.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 4.53 · 4.53±0.10(Predicted)
- form
- solid
- Sensitive
- Moisture & Light Sensitive
- InChI
- 1S/C13H14N2S/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H2,14,15)
- InChIKey
- XCDNQJNJCJJQEC-UHFFFAOYSA-N
- SMILES
- Nc1nc(cs1)-c2ccc3CCCCc3c2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Suppliers
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Related reactions
5 records
Compound notes
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