Basic information
- CAS
14585-66-1- Standard SMILES
NCCc1csc2ccccc12- InChIKey
YWXDBWNXMZHMFX-UHFFFAOYSA-N- Molecular formula
- C10H11NS
- Average molar mass
- 177.27 g/mol
- Monoisotopic mass
- 177.06122035
Names & identifiers
- Preferred name
- Benzo[b]thiophene-3-ethanamine
- IUPAC
- 2-(1-benzothiophen-3-yl)ethanamine
- English name
- Benzo[b]thiophene-3-ethylaMine
- Molecular formula
- C10H11NS
- Molecular weight
- 177.27
Names & synonyms
14585-66-1Benzo[b]thiophene-3-ethanamine3-beta-Aminoethylbenzothiophene3-(2-Aminoethyl)benzothiopheneBRN 01255123-(2-Aminoethyl)benzo(b)thiopheneBenzo(b)thiophene-3-ethanamineBENZO(b)THIOPHENE-3-ETHYLAMINEBenzo(b)thiophene-3-ethanamine (9CI)DTXSID001631694-18-00-07170 (Beilstein Handbook Reference)RefChem:118208
Show more names
Benzo[b]thiophene-3-ethylaMineBenzo[b]thiophene-3-ethylaMine ISO 9001：2015 REACH
DTXCID0085660630-830-42-(Benzo[b]thiophen-3-yl)ethanamine2-(1-benzothiophen-3-yl)ethan-1-amine2-(1-benzothiophen-3-yl)ethanamine2-(benzo[b]thiophen-3-yl)ethan-1-amine2-benzo[b]thiophen-3-ylethylamineSCHEMBL277679
Database identifiers
- CAS
14585-66-1- PubChem CID
- 26743
- DTXSID
DTXSID00163169- EC Number
- 630-830-4
- Nikkaji
- J41.937K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 125 °C · 125 °C(Press: 1 Torr)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.02 · 10.02±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- 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
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 38 reports by companies from 1 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
18 records
Compound notes
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