(2-Thienylmethyl)amine
Basic information
- CAS
27757-85-3- Standard SMILES
NCc1cccs1- InChIKey
FKKJJPMGAWGYPN-UHFFFAOYSA-N- Molecular formula
- C5H7NS
- Average molar mass
- 113.18 g/mol
- Monoisotopic mass
- 113.0299204
Names & identifiers
- Preferred name
- (2-Thienylmethyl)amine
- IUPAC
- thiophen-2-ylmethanamine
- English name
- 2-Thiophenemethylamine
- Molecular formula
- C5H7NS
- Molecular weight
- 113.18
Names & synonyms
2-THIOPHENEMETHANAMINE(2-Thienylmethyl)amineEINECS 248-639-6RefChem:396261248-639-62-Thiophenemethylamine27757-85-3thiophen-2-ylmethanamine2-(Aminomethyl)thiopheneThiophenemethanamineThiophene-2-methylamine2-Thienylmethylamine
Show more names
AKOS BBS-000036072-ThiophenemethyLthienylmethylamineTIMTEC-BB SBB004315RARECHEM AL BW 02572-Thiophenemethylami
2-Aminomethylthiophene2-Thenylamine1-(thiophen-2-yl)methanamineMFCD00005460(2-thienyl)methylamine1-(2-thienyl)methanamine2-Thienylmethanamine(thiophen-2-yl)methanamine
Database identifiers
- CAS
27757-85-3、55230-88-1、7404-63-9- PubChem CID
- 34005
- DTXSID
DTXSID7075343- ChEMBL
CHEMBL237711- EC Number
- 231-011-0、248-639-6
- Nikkaji
- J88.516I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56
Physicochemical properties
- Boiling point
- 95 · 95-99 °C/28 mmHg (lit.)
- Density
- 1.103 g/mL · 1.103 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5670(lit.)
- Flash point
- 165 °F · 165 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Easily soluble in ethanol and Chloroform.
- pka
- 8.95 · 8.95±0.29(Predicted)
- form
- liquid
- color
- Clear colorless to yellow
- Sensitive
- Air Sensitive
- BRN
- 106296 · 106296
- InChI
- 1S/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
- InChIKey
- FKKJJPMGAWGYPN-UHFFFAOYSA-N
- SMILES
- NCc1cccs1
- CAS DataBase Reference
- 27757 · 27757-85-3(CAS DataBase Reference)
- NIST Chemistry Reference
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3267 8/PG 2
- hs_code
- 29349990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-27-36/37/39-45-25
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Chemistry & industry
Applications
Uses2-Thiophenemethylamine can be used as areactant involved in synthesis of Triazole-linked-thiopene conjugates and a biomimetic model for studies of metal detoxification and oxidative stress involving metallothionein.
Uses2-Thiophenemethylamine is Reactant involved in synthesis of: Triazole-linked-thiopene conjugates. It is used for biomimetic model for studies of metal detoxification and oxidative stress involving metallothionein.It is a reactant involved in studies of organocatalyzed asymmetric reductive amination of ketones.
UsesReactant involved in synthesis of:Triazole-linked-thiopene conjugates for use as a biomimetic model for studies of metal detoxification and oxidative stress involving metallothioneinSerotonin 5-HT1A receptor antagonists which have neuroprotective affects against ischemic cell damageImidazole- and piperonyl-containing thiadiazoles and pyrimidines for use as inducible oxide synthase dimerization inhibitorsOptoelectronic segmented polyurethanesReactant involved in:Studies of organocatalyzed asymmetric reductive amination of ketonesMetal-free aerobic oxidative coupling of amines to imines
General Description2-Thiophenemethylamine is a potential ligand replacement for poly(3-hexylthiophene)/CdSe hybrid solar cells.
Upstream & downstream products
Upstream raw materials
Related reactions
201 records
Compound notes
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