tert-Butyl hydroxy(methyl)carbamate

HCID 272414CAS 19689-97-5

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Basic information

Standard SMILES: CN(O)C(=O)OC(C)(C)C
InChIKey: BFTVWTYYQWTLQL-UHFFFAOYSA-N
Molecular formula: C6H13NO3
Average molar mass: 147.17 g/mol
Monoisotopic mass: 147.08954328

Names & identifiers

Preferred name: tert-Butyl hydroxy(methyl)carbamate
IUPAC: tert-butyl N-hydroxy-N-methylcarbamate
English name: tert-butyl hydroxy(methyl)carbamate
Molecular formula: C6H13NO3
Molecular weight: 147.17

Names & synonyms

tert-butyl hydroxy(methyl)carbamateDTXSID20297596RefChem:894667DTXCID50248733860-166-219689-97-5tert-butyl N-hydroxy-N-methylcarbamateMFCD24465554N-Boc-N-methylhydroxylamineCarbamic acid, N-hydroxy-N-methyl-,1,1-dimethylethyl esterTERT-BUTYL N-HYDROXY-N-METHYL-CARBAMATENSC116783

Show more names

tert-?Butyl N-?hydroxy-?N-?methylcarbamate

N-(tert-butoxycarbonyl)-N-methylhydroxylamineN-methyl-N-boc hydroxylamineSCHEMBL28394N-Boc-N-methyl hydroxylaminetert-butylhydroxy(methyl)carbamateBFTVWTYYQWTLQL-UHFFFAOYSA-NUAA68997AKOS030614432

Database identifiers

CAS: 19689-97-5
PubChem CID: 272414
DTXSID: DTXSID20297596
EC Number: 860-166-2
Nikkaji: J2.259.665I

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 60 · 60-65 °C(Press: 3 Torr)
Density: 1.083 · 1.083±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.04 · 9.04±0.50(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-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P