1-(2H-Tetrazol-5-yl)ethanamine - CAS 33876-24-3
Catalog: |
BB021878 |
Product Name: |
1-(2H-Tetrazol-5-yl)ethanamine |
CAS: |
33876-24-3 |
Synonyms: |
1-(2H-tetrazol-5-yl)ethanamine; 1-(2H-tetrazol-5-yl)ethanamine |
IUPAC Name: | 1-(2H-tetrazol-5-yl)ethanamine |
Description: | 1-(2H-Tetrazol-5-yl)ethanamine (CAS# 33876-24-3) is a useful research chemical. |
Molecular Weight: | 113.12 |
Molecular Formula: | C3H7N5 |
Canonical SMILES: | CC(C1=NNN=N1)N |
InChI: | InChI=1S/C3H7N5/c1-2(4)3-5-7-8-6-3/h2H,4H2,1H3,(H,5,6,7,8) |
InChI Key: | NDMDHZMRQFSFOZ-UHFFFAOYSA-N |
Boiling Point: | 283.9 °C at 760 mmHg |
Density: | 1.336 g/cm3 |
MDL: | MFCD08059984 |
LogP: | -0.08030 |
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, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020347009-A1 | Bicyclic compounds | 20190416 |
WO-2020214734-A1 | Bicyclic compounds | 20190416 |
TW-202104189-A | Bicyclic compounds | 20190416 |
CN-113302175-A | Bicyclic compounds | 20181109 |
KR-20210108367-A | Bicyclic Compounds | 20181109 |
Complexity: | 74.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.07014524 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.07014524 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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