4-Amino-4-(aminomethyl)-N,N-dimethyltetrahydropyran - CAS 176445-80-0
Catalog: |
BB013225 |
Product Name: |
4-Amino-4-(aminomethyl)-N,N-dimethyltetrahydropyran |
CAS: |
176445-80-0 |
Synonyms: |
4-(aminomethyl)-N,N-dimethyl-4-oxanamine; 4-(aminomethyl)-N,N-dimethyloxan-4-amine |
IUPAC Name: | 4-(aminomethyl)-N,N-dimethyloxan-4-amine |
Description: | 4-Amino-4-(aminomethyl)-N,N-dimethyltetrahydropyran (CAS# 176445-80-0) is a useful research chemical. |
Molecular Weight: | 158.24 |
Molecular Formula: | C8H18N2O |
Canonical SMILES: | CN(C)C1(CCOCC1)CN |
InChI: | InChI=1S/C8H18N2O/c1-10(2)8(7-9)3-5-11-6-4-8/h3-7,9H2,1-2H3 |
InChI Key: | KCLFWPREWYWLTP-UHFFFAOYSA-N |
Boiling Point: | 232 ℃ at 760 mmHg |
Density: | 0.99 g/cm3 |
MDL: | MFCD09065027 |
LogP: | 0.75620 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112679457-A | Process for the preparation of benzamide derivatives and their use | 20201215 |
KR-20200010078-A | Novel catechol derivatives or salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same | 20180720 |
WO-2020017878-A1 | Novel catechol derivatives or salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same | 20180720 |
AU-2019304832-A1 | Novel catechol derivatives or salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same | 20180720 |
CA-3106968-A1 | Novel catechol derivatives or salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same | 20180720 |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.141913202 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.141913202 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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