O-Benzylhydroxylamine

C₇H₉NOCAS 622-33-3123.15 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₇H₉NO
Molar mass: 123.15 g/mol
Exact mass: 123.0684 Da
Melting point: 229–235 °C
Boiling point: 118–119 °C (at 30 Torr)
logP: 1.08Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed86.7% of notifiers
H314 Causes severe skin burns and eye damage13.3% of notifiers
H315 Causes skin irritation86.7% of notifiers
H319 Causes serious eye irritation86.7% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

622-33-3

SMILES

NOCc1ccccc1

InChIKey

XYEOALKITRFCJJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Hydroxylamine, O-(phenylmethyl)-
Hydroxylamine, O-benzyl-
Benzyloxyamine
O-(Phenylmethyl)hydroxylamine
SNR 1635
O-Benzyloxyamine
α-(Aminooxy)toluene

Work with O-Benzylhydroxylamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

O-Benzylhydroxylamine hydrochloride2687-43-6Salt

Similar compounds

Dibenzyl ether103-50-457 % similar Benzyl methyl ether538-86-350 % similar Hydroquinone dibenzyl ether621-91-050 % similar Benzyl phenyl ether946-80-550 % similar 2-(Benzyloxy)ethanamine38336-04-848 % similar O-(4-Methoxybenzyl)hydroxylamine hydrochloride876-33-547 % similar 4-Benzyloxyaniline6373-46-246 % similar Benzyl chloromethyl ether3587-60-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-4-methylpyridine100848-70-2 (5-Methylpyridin-3-yl)methanol102074-19-1 2-Pyridineethanol103-74-2 P-Anisidine104-94-9 2,6-Dimethylpyridine N-oxide1073-23-0 2,6-Dimethyl-3-pyridinol1122-43-6 6-Methyl-2-pyridinemethanol1122-71-0 2-Methoxy-5-picoline13472-56-5

Elsewhere

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