4-Propoxybenzene-1,2-diamine

C₉H₁₄N₂OCAS 56190-17-1166.22 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₉H₁₄N₂O
Molar mass: 166.22 g/mol
Exact mass: 166.1106 Da
logP: 1.64Crippen estimate
Polar surface area: 61.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers

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

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

56190-17-1

SMILES

CCCOc1ccc(N)c(N)c1

InChIKey

UUAOMJOZLSTWIP-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N2O/c1-2-5-12-7-3-4-8(10)9(11)6-7/h3-4,6H,2,5,10-11H2,1H3

Weigh it out

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

Names and synonyms

3 names

4-Propoxy-1,2-benzenediamine
1,2-Benzenediamine, 4-propoxy-
4-Propoxy-o-phenylenediamine

Work with 4-Propoxybenzene-1,2-diamine

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

Similar compounds

4-Propoxybenzenamine4469-80-158 % similar 1,2-Benzenediamine, 4-ethoxy-, sulfate (1:1)85137-09-355 % similar 4-Methoxy-1,2-phenylenediamine102-51-253 % similar 2,5-Diethoxyaniline94-85-953 % similar 4-Propoxyphenol18979-50-548 % similar 1-Bromo-4-propoxybenzene39969-56-748 % similar 4-Methoxybenzene-1,2-diamine dihydrochloride59548-39-948 % similar 4-Butyloxyaniline4344-55-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-sec-Butyl-3-methoxypyrazine24168-70-5 3-Isobutyl-2-methoxypyrazine24683-00-9 2-Ethoxy-3-isopropylpyrazine72797-16-1

Elsewhere

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