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Structure

(2-Aminophenyl)(4-methyl-1-piperazinyl)methanone

CAS
93288-86-9
Catalog Number
ACM93288869
Category
Other Products
Molecular Weight
219.282880 [g/mol]
Molecular Formula
C12H17N3O

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Specification

Synonyms
93288-86-9, (2-aminophenyl)(4-methylpiperazin-1-yl)methanone, 2-[(4-Methyl-1-piperazinyl)carbonyl]aniline, (2-aminophenyl)(4-methyl-1-piperazinyl)methanone, 2-aminophenyl 4-methylpiperazinyl ketone, SDCCGMLS-0065273.P001, AC1LB3RF, AC1Q3ZS8, SureCN2033421, ARONIS008824, CTK6I2865, MolPort-000-471-908, BB_SC-4441, ANW-70456, BBL012898, SBB000592, STK803350, AKOS000111614, AG-A-01930, AG-H-81296
IUPAC Name
(2-aminophenyl)-(4-methylpiperazin-1-yl)methanone
InChI Key
PEIXOOFVMXCCCT-UHFFFAOYSA-N
Exact Mass
219.13700
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?

The molecular formula of the compound is C12H17N3O.

What is the molecular weight of the compound?

The molecular weight of the compound is 219.28 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (2-aminophenyl)-(4-methylpiperazin-1-yl)methanone.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H17N3O/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13/h2-5H,6-9,13H2,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is PEIXOOFVMXCCCT-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CN1CCN(CC1)C(=O)C2=CC=CC=C2N.

What is the CAS number of the compound?

The CAS number of the compound is 93288-86-9.

What is the EC number of the compound?

The EC number of the compound is 878-967-0.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 0.2.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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