N-tert-butylhydroxylamine

HCID 98586

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 16649-50-6
Standard SMILES: CC(C)(C)NO
InChIKey: XWESXZZECGOXDQ-UHFFFAOYSA-N
Molecular formula: C4H11NO
Average molar mass: 89.14 g/mol
Monoisotopic mass: 89.08406397

Overview

structure given in first source

Names & identifiers

Preferred name: N-tert-butylhydroxylamine
IUPAC: N-tert-butylhydroxylamine
English name: N-tert-butylhydroxylamine
Molecular formula: C4H11NO
Molecular weight: 89.14

Names & synonyms

N-tert-Butylhydroxylamine16649-50-6N-t-butylhydroxylamineBQ5JE2DA91NSC-150349NSC-239719N-HYDROXY-TERT-BUTYLAMINEDTXSID801681122-HYDROXYLAMINO-2-METHYLPROPANEN-HYDROXY-2-METHYL-2-PROPANAMINERefChem:164246DTXCID2090603

Show more names

NSC 150349NSC 239719N-tert-butylhydroxyaminet-Butylhydroxylamine (t-BHA)

877-853-8N-(tert-Butyl)hydroxylamine2-Propanamine, N-hydroxy-2-methyl-MFCD06653532n-hydroxy-2-methylpropan-2-aminetert-butylhydroxylaminet-butylhydroxylamineNSC150349

Database identifiers

CAS: 16649-50-6
PubChem CID: 98586
DTXSID: DTXSID80168112
ChEMBL: CHEMBL555486
UNII: BQ5JE2DA91
EC Number: 877-853-8
Nikkaji: J26.144K

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 37.3

Physicochemical properties

Melting point: 64 ℃ · 64℃
Boiling point: 120.9 · 120.9±23.0 °C(Predicted)
Density: 0.883 · 0.883±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 14.2 · 14.20±0.50(Predicted)
Appearance: White to off-white Solid
FDA UNII: 5 JE2DA91 · BQ5JE2DA91
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 228 · H228
Precautionary statements: 210 · P210-P273-P243-P403
HS Code: 2928009090 · 2928009090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2928009090
Signal word: Danger
Symbol(GHS): GHS02
Hazard statements: H228
Precautionary statements: P210-P273-P243-P403

Chemistry & industry

Applications · 1 item

UsesN-tert-butylhydroxylamine condenses with various aldehydes to form N-tert-butyl nitrone; it condenses with alkynes to form N-tert-butyl nitrone; it is used together with phenylacetyl chloride to synthesize aziridine ketones; and it is used for olefin amination.