2-(1H-1,2,3-Triazol-1-yl)ethanamine

HCID 22561972

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4320-94-9
Standard SMILES: NCCn1ccnn1
InChIKey: CHEYEJGXQSHSFE-UHFFFAOYSA-N
Molecular formula: C4H8N4
Average molar mass: 112.13 g/mol
Monoisotopic mass: 112.07489627

Names & identifiers

Preferred name: 2-(1H-1,2,3-Triazol-1-yl)ethanamine
IUPAC: 2-(triazol-1-yl)ethanamine
English name: 2-(1H-1,2,3-TRIAZOL-1-YL)ETHANAMINE
Molecular formula: C4H8N4
Molecular weight: 112.13

Names & synonyms

2-(1H-1,2,3-TRIAZOL-1-YL)ETHANAMINERefChem:451321802-051-14320-94-92-(triazol-1-yl)ethanamine2-(1H-1,2,3-TRIAZOL-1-YL)ETHAN-1-AMINE1H-1,2,3-TRIAZOLE-1-ETHANAMINEMFCD067390722-[1,2,3]TRIAZOL-1-YL-ETHYLAMINE1,2,3-Triazole-1-ethanamine2-(1,2,3-TRIAZOL-1-YL)ETHANAMINESCHEMBL594330

Show more names

2-(1,2,4-triazol-1-yl)ethanamine2-(1H-1,2,3-TRIAZOL-1-YL)ETHAMINE[2-(1H-[1,2,3]Triazol-1-yl)ethyl]amine1H-1,2,3-Triazole-1-ethanamine (9CI, ACI)

SCHEMBL6223317DTXSID00626481CHEYEJGXQSHSFE-UHFFFAOYSA-N2-[1,2,3]Triazol-1-ylethylamine2-[1,2,3]triazol-1-yl ethylamineAKOS006295124AB285281-(2-Aminoethyl)-1H-1,2,3-triazole

Database identifiers

CAS: 4320-94-9、4320-98-3
PubChem CID: 22561972
DTXSID: DTXSID00626481
EC Number: 802-051-1

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 56.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 65

Physicochemical properties

Boiling point: 241 ℃ · 241℃
Density: 1.31 · 1.31
Flash point: 100 ℃ · 100℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 7.38 · 7.38±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
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
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code: 2933998090
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