4-(3-Chloropropyl)morpholine

C₇H₁₄ClNOCAS 7357-67-7163.64 g/mol

Open in Covalent MOL file

Alkyl halide Ether Tertiary amine

Properties

Molecular formula: C₇H₁₄ClNO
Molar mass: 163.64 g/mol
Exact mass: 163.0764 Da
Density: 1.0409 g/mL (at 20 °C)
Boiling point: 110–115 °C (at 25 Torr)
logP: 0.95Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled12.5% of notifiers
H302 Harmful if swallowed62.5% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H317 May cause an allergic skin reaction12.5% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation62.5% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers
H341 Suspected of causing genetic defects25% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure25% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7357-67-7

SMILES

ClCCCN1CCOCC1

InChIKey

PIAZYBLGBSMNLX-UHFFFAOYSA-N

InChI

InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2

Weigh it out

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

Names and synonyms

8 names

Morpholine, 4-(3-chloropropyl)-
3-Morpholinopropyl chloride
N-(3-Chloropropyl)morpholine
1-Chloro-3-morpholinopropane
NSC 28831
NSC 38889
3-Chloro-1-(morpholin-4-yl)propane
3-(Morpholin-4-yl)propyl chloride

Work with 4-(3-Chloropropyl)morpholine

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

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.

4-(3-Chloropropyl)morpholine hydrochloride57616-74-7Salt

Similar compounds

4-(2-Chloroethyl)morpholine3240-94-671 % similar 4-(2-Chloroethyl)morpholine hydrochloride3647-69-663 % similar Dimorpholinodiethyl ether6425-39-458 % similar 1-(3-Chloropropyl)-pyrrolidine hydrochloride57616-69-057 % similar 2.2.2-Cryptand23978-09-855 % similar 4-(3-Aminopropyl)morpholine123-00-252 % similar 3-Morpholino-1-propanol4441-30-952 % similar 1-(3-Chloropropyl)-4-methylpiperazine104-16-550 % similar

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

Same formula

Nortropine hydrochloride14383-51-8 N,N-Bis(1-methylethyl)carbamic chloride19009-39-3 1-Methylhexahydro-4-azepinone hydrochloride19869-42-2 (R)-3-Quinuclidinol hydrochloride42437-96-7 3-Quinuclidinol hydrochloride6238-13-7

Elsewhere

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