p-Heptyloxyaniline

C₁₃H₂₁NOCAS 39905-44-7207.32 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₃H₂₁NO
Molar mass: 207.32 g/mol
Exact mass: 207.1623 Da
logP: 3.62Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed11.4% of notifiers
H312 Harmful in contact with skin11.4% of notifiers
H332 Harmful if inhaled11.4% of notifiers
H411 Toxic to aquatic life with long lasting effects88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, P501

Identifiers

CAS number

39905-44-7

SMILES

CCCCCCCOC1=CC=C(C=C1)N

InChIKey

LTGYTOOKQWFTQG-UHFFFAOYSA-N

InChI

InChI=1S/C13H21NO/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10H,2-6,11,14H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-Heptyloxyaniline

Work with p-Heptyloxyaniline

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-(Octyloxy)benzenamine39905-45-8100 % similar 4-Hexyloxyaniline39905-57-2100 % similar 4-Butyloxyaniline4344-55-286 % similar 4-Propoxybenzenamine4469-80-172 % similar 4-(Heptyloxy)phenol13037-86-064 % similar 4-(Hexyloxy)phenol18979-55-064 % similar 1-Bromo-4-(hexyloxy)benzene30752-19-364 % similar 4-(Octyloxy)phenol3780-50-564 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(3,5-Dimethyltricyclo(3.3.1.13,7)dec-1-yl)formamide351329-88-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook