2-(5-amino-1H-pyrazol-1-yl)ethan-1-ol

HCID 320281CAS 73616-27-0

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccnn1CCO
InChIKey: IHQRJCVJAUKIEP-UHFFFAOYSA-N
Molecular formula: C5H9N3O
Average molar mass: 127.14 g/mol
Monoisotopic mass: 127.07456191

Names & identifiers

Preferred name: 2-(5-amino-1H-pyrazol-1-yl)ethan-1-ol
IUPAC: 2-(5-aminopyrazol-1-yl)ethanol
English name: 5-Amino-1-(2-hydroxyethyl)pyrazole
Molecular formula: C5H9N3O
Molecular weight: 127.14

Names & synonyms

2-(5-amino-1H-pyrazol-1-yl)ethan-1-olRefChem:458601805-746-85-Amino-1-(2-hydroxyethyl)pyrazole73616-27-02-(5-aminopyrazol-1-yl)ethanol2-(5-amino-1H-pyrazol-1-yl)ethanolMFCD080638091H-pyrazole-1-ethanol, 5-amino-NSC2672195-Amino-1-(2-hydroxy Ethyl) PyrazoleSCHEMBL2599298

Show more names

5-Amino-1-(2-hydroxy3-Amino-2-pyrazoleethanol5-AMINO-1H-PYRAZOLE-1-ETHANOL3-Amino-2-pyrazoleethanol,96%5-Amino-1-hydroxyethylpyrazole5-amino-1-(2-hydroethyl)pyrazole5-Amino-1-(2-hydroxyethyl)pyrazol

SCHEMBL6645996DTXSID40313186IHQRJCVJAUKIEP-UHFFFAOYSA-N1-(2-hydroxyethyl)-5-aminopyrazoleAC-048AKOS009457891CS-W001159DS-0695

Database identifiers

CAS: 73616-27-0
PubChem CID: 320281
DTXSID: DTXSID40313186
EC Number: 805-746-8
Nikkaji: J604.854D

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 64.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 88.3

Physicochemical properties

Melting point: 107 to · 107.0 to 109.0 °C
Boiling point: 140 °C/0.04mmHg · 140°C/0.04mmHg(lit.)
Density: 1.35 · 1.35±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
form: Solid
pka: 14.42 · 14.42±0.10(Predicted)
color: White to Light yellow to Light orange
CAS DataBase Reference: 73616 · 73616-27-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 4 items

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 3 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

hs_code: 2933199090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a