trans-2,5-Dimethylpiperazine
Properties
- Molecular formula
- C6H14N2
- Molar mass
- 114.19 g/mol
- Exact mass
- 114.1157 Da
- logP
- -0.04Crippen estimate
- Polar surface area
- 24.1 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
- Stereocentres
- R, Sin SMILES atom order
Hazards
Danger
- H228 Flammable solid97.9% of notifiers
- H311 Toxic in contact with skin89.4% of notifiers
- H312 Harmful in contact with skin12.8% of notifiers
- H314 Causes severe skin burns and eye damage10.6% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P240, P241, P260, P262, P264, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P362+P364, P363, P370+P378, P405, P501
Identifiers
CAS number
2815-34-1SMILES
C[C@@H]1CN[C@H](CN1)CInChIKey
NSMWYRLQHIXVAP-OLQVQODUSA-NInChI
InChI=1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3/t5-,6+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2,5-Dimethylpiperazine, trans-
Work with trans-2,5-Dimethylpiperazine
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.
Similar compounds
Propyleneimine75-55-8100 % similar
2-Methylpiperazine109-07-953 % similar
(S)-(+)-2-Methylpiperazine74879-18-853 % similar
(R)-(-)-2-Methylpiperazine75336-86-653 % similar
Rel-(2R,6S)-2,6-Dimethylpiperazine21655-48-144 % similar
(2R)-2-Methylpyrrolidine41720-98-340 % similar
(2S)-2-Methylpyrrolidine59335-84-140 % similar
2-Methylpyrrolidine765-38-840 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.