3-(Methylamino)propionitrile - CAS 693-05-0
Catalog: |
BB033763 |
Product Name: |
3-(Methylamino)propionitrile |
CAS: |
693-05-0 |
Synonyms: |
3-(methylamino)propanenitrile |
IUPAC Name: | 3-(methylamino)propanenitrile |
Description: | Aminoproponitriles can be used as inhibitors of oxidase enzymes and as a reagent for aminomethylphosphine ligands or the synthesis of aminobenzothiazoles. |
Molecular Weight: | 84.12 |
Molecular Formula: | C4H8N2 |
Canonical SMILES: | CNCCC#N |
InChI: | InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3 |
InChI Key: | UNIJBMUBHBAUET-UHFFFAOYSA-N |
Boiling Point: | 182-186 °C |
Melting Point: | -21 °C |
Purity: | 95 % |
Density: | 0.899 g/cm3 |
Appearance: | Clear yellow liquid |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00001954 |
LogP: | 0.51038 |
GHS Hazard Statement: | H312 (97.56%): Harmful in contact with skin [Warning Acute toxicity, dermal] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112961061-A | Process for preparing N-methyl-1, 3-propane diamine by continuous catalytic reaction of two fixed bed reactors | 20210308 |
CN-111875537-A | Betahistine synthesis method | 20200609 |
WO-2021210586-A1 | Condensed heterocyclic compound | 20200414 |
CN-111454159-A | Preparation process method of N-methyl-1, 3-propane diamine | 20200404 |
EP-3851423-A1 | Use of reaction resin mixtures with a predefined polarity for adjusting the robustness of a mortar mass and method for adjusting the robustness of a mortar mass | 20200114 |
PMID | Publication Date | Title | Journal |
19209891 | 20090312 | New insights into the design of inhibitors of human S-adenosylmethionine decarboxylase: studies of adenine C8 substitution in structural analogues of S-adenosylmethionine | Journal of medicinal chemistry |
Complexity: | 59.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 84.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 84.068748264 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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Amines and Anilines
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