N-Methyl-1-(thiophen-2-yl)methanamine

HCID 436153

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Basic information

CAS: 58255-18-8
Standard SMILES: CNCc1cccs1
InChIKey: TTXJMSRLGMWEJZ-UHFFFAOYSA-N
Molecular formula: C6H9NS
Average molar mass: 127.21 g/mol
Monoisotopic mass: 127.04557029

Names & identifiers

Preferred name: N-Methyl-1-(thiophen-2-yl)methanamine
IUPAC: N-methyl-1-thiophen-2-ylmethanamine
English name: N-Methyl-(2-thienylmethyl)amine
Molecular formula: C6H9NS
Molecular weight: 127.21

Names & synonyms

58255-18-8N-methyl-1-(thiophen-2-yl)methanamineDTXSID70331176RefChem:364390DTXCID70282270N-Methyl-(2-thienylmethyl)amineMethylthiophen-2-ylmethylamineN-methyl-N-(thien-2-ylmethyl)amineN-methyl-1-thiophen-2-ylmethanamineMFCD04625435N-methyl-2-thiophenemethanamineMETHYL-THIOPHEN-2-YLMETHYL-AMINE

Show more names

CHEMBRDG-BB 4100657N-METHYL-1-THIEN-2-YLMETHANAMINEMethylthiophen-2-ylmethylamine95%methyl(thiophen-2-ylmethyl)ammonium

N-methyl-1-(2-thienyl)methanaminemethyl[(thiophen-2-yl)methyl]aminemethyl(thiophen-2-ylmethyl)amineF3145-18892-Thiophenemethanamine, N-methyl-N-methylthenylaminea-methyl-2-thenylaminemethyl(2-thienylmethyl)amine

Database identifiers

CAS: 58255-18-8
PubChem CID: 436153
DTXSID: DTXSID70331176
EC Number: 806-360-2

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 40.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 65.5

Physicochemical properties

Boiling point: 75 · 75-80 °C(Press: 4 Torr)
Density: 1.055 · 1.055±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9.2 · 9.20±0.10(Predicted)
Appearance: Light yellow to brown Liquid
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304-P304+P340-P305+P351+P338-P310-P312-P321-P340-P363-P403-P403+P233-P405-P501
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
RIDADR: 2735 · UN2735
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr: UN2735
hs_code: 2934999090
risk_code: 22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
hazard_class: IRRITANT
Hazard statements: H314-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P233-P260-P261-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304-P304+P340-P305+P351+P338-P310-P312-P321-P340-P363-P403-P403+P233-P405-P501