N-(3-Aminopropyl)-N-methylaniline

C₁₀H₁₆N₂CAS 53485-07-7164.25 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₆N₂
Molar mass: 164.25 g/mol
Exact mass: 164.1313 Da
logP: 1.47Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, 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

53485-07-7

SMILES

CN(CCCN)C1=CC=CC=C1

InChIKey

WGHBKYWUOOANEX-UHFFFAOYSA-N

InChI

InChI=1S/C10H16N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,11H2,1H3

Weigh it out

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

Work with N-(3-Aminopropyl)-N-methylaniline

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

2-(Methylphenylamino)ethanol93-90-355 % similar N-(2-Cyanoethyl)-N-methylaniline94-34-852 % similar N-Benzyl-N-methylaniline614-30-250 % similar Benzenepropanamine2038-57-545 % similar Benzenebutanamine13214-66-943 % similar Bis(3-aminopropyl)methylamine105-83-941 % similar Dimethylaminopropylamine109-55-741 % similar 2-(Aminomethyl)-N-butyl-N-methylaniline1020988-06-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Wurster's blue100-22-1 N-Benzyl-1,3-propanediamine13910-48-0 Sebaconitrile1871-96-1 2,3,5,6-Tetramethyl-1,4-phenylenediamine3102-87-2 (2-Amino-1-phenylethyl)dimethylamine6342-21-8 4-(tert-Butyl)-1,2-diaminobenzene68176-57-8 Color developing agent 193-05-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook