Benzen-2,3,4,5,6-d5-amine
Properties
- Molecular formula
- C6H2D5N
- Molar mass
- 98.16 g/mol
- Exact mass
- 98.0892 Da
- logP
- 1.27Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled97.5% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H331 Toxic if inhaled100% of notifiers
- H341 Suspected of causing genetic defects97.5% of notifiers
- H351 Suspected of causing cancer97.5% of notifiers
- H400 Very toxic to aquatic life97.5% of notifiers
- H410 Very toxic to aquatic life with long lasting effects97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
4165-61-1SMILES
[2H]c1c([2H])c([2H])c(N)c([2H])c1[2H]InChIKey
PAYRUJLWNCNPSJ-RALIUCGRSA-NInChI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i1D,2D,3D,4D,5DWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Aniline-2,3,4,5,6-d5
- Benzen-d5-amine
- Phenyl-d5 amine
- 2,3,4,5,6-Pentadeuteroaniline
- Aniline-d5
- 2,3,4,5,6-Pentadeuterioaniline
Work with Benzen-2,3,4,5,6-d5-amine
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.
Similar compounds
Chloro(2H5)benzene3114-55-441 % similar
1,2-Dichlorobenzene-D42199-69-135 % similar
(2H8)Naphthalene1146-65-233 % similar
Phen-2,3,4,5,6-d5-ol-d13127-88-333 % similar
Toluene-D82037-26-533 % similar
Bromobenzene-D54165-57-533 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds