Methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate - CAS 184174-81-0
Catalog: |
BB046876 |
Product Name: |
Methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
CAS: |
184174-81-0 |
Synonyms: |
methyl 2-amino-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate; 2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester; 5,6,7,8-Tetrahydro-2-amino-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester |
IUPAC Name: | methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
Description: | Methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS# 184174-81-0 ) is a useful research chemical. |
Molecular Weight: | 225.31 |
Molecular Formula: | C11H15NO2S |
Canonical SMILES: | COC(=O)C1=C(SC2=C1CCCCC2)N |
InChI: | InChI=1S/C11H15NO2S/c1-14-11(13)9-7-5-3-2-4-6-8(7)15-10(9)12/h2-6,12H2,1H3 |
InChI Key: | BDPLKEMLVDUYRR-UHFFFAOYSA-N |
Boiling Point: | 410.1±45.0 °C at 760 mmHg |
Melting Point: | 95-96 °C |
Purity: | ≥ 95 % |
Density: | 1.2±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.08234989 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.08234989 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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Related Functional Groups
Amines and Anilines
Carbonyl Compounds
Thiophenes
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