1,1,3,3-Tetramethylguanidine
Properties
- Molecular formula
- C5H13N3
- Molar mass
- 115.18 g/mol
- Exact mass
- 115.1109 Da
- Density
- 0.91 g/mL (at 25 °C)
- Boiling point
- 52–54 °C
- logP
- 0.04Crippen estimate
- Polar surface area
- 30.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor95.6% of notifiers
- H302 Harmful if swallowed98.4% of notifiers
- H314 Causes severe skin burns and eye damage98.7% of notifiers
- H318 Causes serious eye damage50.1% of notifiers
Aggregated from 385 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
80-70-6SMILES
CN(C)C(=N)N(C)CInChIKey
KYVBNYUBXIEUFW-UHFFFAOYSA-NInChI
InChI=1S/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Guanidine, N,N,N′,N′-tetramethyl-
- Guanidine, 1,1,3,3-tetramethyl-
- N,N,N′,N′-Tetramethylguanidine
- Tetramethylguanidine
- N1,N1,N3,N3-Tetramethylguanidine
- NSC 148309
- PC-CAT TMG
Work with 1,1,3,3-Tetramethylguanidine
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
N,N-Dimethylselenourea5117-16-842 % similar
N,N-Dimethylurea598-94-742 % similar
Tetrakis(dimethylamino)ethylene996-70-340 % similar
Tetramethylthiourea2782-91-433 % similar
Tetramethylurea632-22-433 % similar
Metformin657-24-932 % similar
Dimethylacetamide127-19-530 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.