CAS 494769-44-7 (4-Hydroxymethylthiazol-2-yl)carbamic acid tert-butyl ester (HCID 22280475)

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Basic information

CAS: 494769-44-7
Standard SMILES: CC(C)(C)OC(=O)Nc1nc(CO)cs1
InChIKey: OWLBQQTUOQLZST-UHFFFAOYSA-N
Molecular formula: C9H14N2O3S
Average molar mass: 230.29 g/mol
Monoisotopic mass: 230.07251331

Names & identifiers

Preferred name: (4-Hydroxymethylthiazol-2-yl)carbamic acid tert-butyl ester
IUPAC: tert-butyl N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamate
English name: (4-Hydroxymethylthiazol-2-yl)carbamic acid tert-butyl ester
Molecular formula: C9H14N2O3S
Molecular weight: 230.28

Names & synonyms

(4-Hydroxymethylthiazol-2-yl)carbamic acid tert-butyl esterRefChem:402876689-215-4494769-44-7tert-butyl (4-(hydroxymethyl)thiazol-2-yl)carbamatetert-butyl N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamateMFCD08275703tert-butyl 4-(hydroxymethyl)thiazol-2-ylcarbamate2-(Boc-amino)-4-(hydroxymethyl)thiazole(2-N-BOC-AMINO-THIAZOL-4-YL)-METHANOL(2-N-Boc-Aminothiazol-4-yl)methanolN-Boc-2-Amino-(4-hydroxymethyl)thiazole

Show more names

tert-butyl 4-(hydroxymethyl)-1,3-thiazol-2-ylcarbamate(4-HYDROXYMETHYLTHIAZOL-2-YL)CARBAMIC ACID TERT-BUTYL ESTER, 95+%Carbamic acid, N-[4-(hydroxymethyl)-2-thiazolyl]-, 1,1-dimethylethyl ester

Carbamic acid, [4-(hydroxymethyl)-2-thiazolyl]-, 1,1-dimethylethyl esterSCHEMBL1030124tert-butyl N-[4-(hydroxymethyl)thiazol-2-yl]carbamateDTXSID10624276tert-butyl 4-(hydroxymethyl)thiaOWLBQQTUOQLZST-UHFFFAOYSA-NSBB097622AKOS015841474

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 99.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 230

Physicochemical properties

Density: 1.316 · 1.316±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 5.09 · 5.09±0.70(Predicted)
Appearance: Off-white to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
HazardClass: IRRITANT

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, P317, P321, P330, P337+P317, P362+P364, 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

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501