5-tert-Butyl-1,3-thiazol-2-amine

HCID 676485

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Basic information

CAS: 299417-31-5
Standard SMILES: CC(C)(C)c1cnc(N)s1
InChIKey: YPVUVTIITAMAPQ-UHFFFAOYSA-N
Molecular formula: C7H12N2S
Average molar mass: 156.25 g/mol

Names & identifiers

Preferred name: 5-tert-Butyl-1,3-thiazol-2-amine
IUPAC: 5-tert-butyl-1,3-thiazol-2-amine
English name: 2-Thiazolamine, 5-(1,1-dimethylethyl)-
Molecular formula: C7H12N2S
Molecular weight: 156.25

Names & synonyms

5-tert-butyl-1,3-thiazol-2-amine299417-31-5RefChem:537845857-706-45-(tert-Butyl)thiazol-2-amine5-tert-butylthiazol-2-amineMFCD021703552-Thiazolamine, 5-(1,1-dimethylethyl)-2-Amino-5-(tert-butyl)thiazole2-Thiazolamine, 5-(1,1-dimethylethyl)-5-tert-butyl-thiazol-2-ylamine5-(tert-butyl)-1,3-thiazole-2-ylamine

Show more names

5-(2-Methyl-2-propanyl)-1,3-thiazol-2(3H)-imine

2-amino-5-t-butylthiazole2-amino-5-tert-butylthiazoleSCHEMBL179484CS-WAA0126YPVUVTIITAMAPQ-UHFFFAOYSA-NALBB-025511SBB008707AKOS012254114

Database identifiers

CAS: 299417-31-5
PubChem CID: 676485
EC Number: 857-706-4

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 119

Physicochemical properties

Boiling point: 253.2 · 253.2±9.0 °C(Predicted)
Density: 1.107 · 1.107±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 5.48 · 5.48±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.