2-Amino-4-(4-methylpiperazin-1-yl) benzoic acid tertbutyl ester
Properties
- Molecular formula
- C16H25N3O2
- Molar mass
- 291.40 g/mol
- Exact mass
- 291.1947 Da
- logP
- 1.98Crippen estimate
- Polar surface area
- 58.8 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
1034975-35-3SMILES
CC(C)(C)OC(=O)C1=C(C=C(C=C1)N2CCN(CC2)C)NInChIKey
DIFVPEGUJIXKOC-UHFFFAOYSA-NInChI
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)13-6-5-12(11-14(13)17)19-9-7-18(4)8-10-19/h5-6,11H,7-10,17H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- tert-Butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate
Work with 2-Amino-4-(4-methylpiperazin-1-yl) benzoic acid tertbutyl ester
Similar compounds
5-(4-Methylpiperazin-1-yl)-2-nitroaniline23491-48-747 % similar
4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester170911-92-945 % similar
4-(4-Methylpiperazin-1-yl)aniline16153-81-441 % similar
1-[4-(4-Methyl-1-piperazinyl)phenyl]ethanone26586-55-040 % similar
tert-Butyl 4-(4-bromophenyl)piperazine-1-carboxylate352437-09-340 % similar
1-Boc-4-methylpiperazine53788-49-140 % similar
4-(4-Methylpiperazino)benzoic acid86620-62-439 % similar
tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate571188-59-539 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.