4-Methyl-1-piperazinecarbonyl chloride

C₆H₁₁ClN₂OCAS 39539-66-7162.62 g/mol

Open in Covalent MOL file

Acyl halide Tertiary amine

Properties

Molecular formula: C₆H₁₁ClN₂O
Molar mass: 162.62 g/mol
Exact mass: 162.0560 Da
logP: 0.59Crippen estimate
Polar surface area: 23.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

39539-66-7

SMILES

CN1CCN(CC1)C(=O)Cl

InChIKey

FBAIGEMWTOSCRU-UHFFFAOYSA-N

InChI

InChI=1S/C6H11ClN2O/c1-8-2-4-9(5-3-8)6(7)10/h2-5H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-Methylpiperazine-1-carbonyl chloride

Work with 4-Methyl-1-piperazinecarbonyl chloride

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-Methyl-1-piperazinecarbonyl chloride hydrochloride55112-42-0Salt

Similar compounds

1-Pyrrolidinecarbonyl chloride1192-63-858 % similar N,N-Bis(2-chloroethyl)carbamic chloride2998-56-354 % similar 4-Morpholinecarbonyl chloride15159-40-752 % similar Diethylcarbamoyl chloride88-10-850 % similar 1-Methyl-4-piperidone1445-73-446 % similar Dimethylcarbamoyl chloride79-44-744 % similar 1,4-Dimethylpiperazine106-58-143 % similar 1-Boc-4-methylpiperazine53788-49-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Hydroxyethyl)-3-methylimidazolium chloride61755-34-8 (1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide hydrochloride709031-39-0

Elsewhere

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