3-(Aminomethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine - CAS 885461-42-7
Catalog: |
BB038956 |
Product Name: |
3-(Aminomethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine |
CAS: |
885461-42-7 |
Synonyms: |
6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethanamine; 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethanamine |
IUPAC Name: | 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethanamine |
Description: | 3-(Aminomethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine (CAS# 885461-42-7) is a useful research chemical. |
Molecular Weight: | 166.22 |
Molecular Formula: | C8H14N4 |
Canonical SMILES: | C1CCC2=NN=C(N2CC1)CN |
InChI: | InChI=1S/C8H14N4/c9-6-8-11-10-7-4-2-1-3-5-12(7)8/h1-6,9H2 |
InChI Key: | IACZAGXWNRNOBU-UHFFFAOYSA-N |
Boiling Point: | 362.3 ℃ at 760 mmHg |
Density: | 1.37 g/cm3 |
MDL: | MFCD06660794 |
LogP: | 1.16350 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.121846464 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.121846464 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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