p-((2-Chloroethyl)ethylamino)benzaldehyde

C₁₁H₁₄ClNOCAS 2643-07-4211.69 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Tertiary amine

Properties

Molecular formula: C₁₁H₁₄ClNO
Molar mass: 211.69 g/mol
Exact mass: 211.0764 Da
Boiling point: 162 °C (at 0.02 Torr)
logP: 2.56Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 104 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P317, P321, P330, P332+P317, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

2643-07-4

SMILES

CCN(CCCl)c1ccc(C=O)cc1

InChIKey

MFUFJCIFNHFEDW-UHFFFAOYSA-N

InChI

InChI=1S/C11H14ClNO/c1-2-13(8-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,7-8H2,1H3

Weigh it out

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

Names and synonyms

4 names

4-[(2-Chloroethyl)ethylamino]benzaldehyde
Benzaldehyde, 4-[(2-chloroethyl)ethylamino]-
Benzaldehyde, p-[(2-chloroethyl)ethylamino]-
NSC 73020

Work with p-((2-Chloroethyl)ethylamino)benzaldehyde

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-(Diethylamino)benzaldehyde120-21-874 % similar 4-((2-Chloroethyl)methylamino)benzaldehyde94-31-561 % similar 4-[Ethyl(phenylmethyl)amino]benzaldehyde67676-47-559 % similar N-Ethyl-N-(2-chloroethyl)aniline92-49-959 % similar 4-(1-Pyrrolidinyl)benzaldehyde51980-54-256 % similar 4-(Piperidin-1-yl)benzaldehyde10338-57-554 % similar 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-154 % similar 4-Morpholinobenzaldehyde1204-86-051 % similar

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

Same formula

2-Chloro-N-(4-isopropylphenyl)acetamide1527-61-3 Propachlor1918-16-7 4-(4-Chlorophenyl)-4-hydroxypiperidine39512-49-7

Elsewhere

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