2-[3-(2-Methylphenyl)pyrrolidin-1-yl]ethanamine - CAS 938458-85-6
Catalog: |
BB041100 |
Product Name: |
2-[3-(2-Methylphenyl)pyrrolidin-1-yl]ethanamine |
CAS: |
938458-85-6 |
Synonyms: |
2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethanamine |
IUPAC Name: | 2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethanamine |
Description: | 2-[3-(2-Methylphenyl)pyrrolidin-1-yl]ethanamine (CAS# 938458-85-6) is a useful research chemical. |
Molecular Weight: | 204.31 |
Molecular Formula: | C13H20N2 |
Canonical SMILES: | CC1=CC=CC=C1C2CCN(C2)CCN |
InChI: | InChI=1S/C13H20N2/c1-11-4-2-3-5-13(11)12-6-8-15(10-12)9-7-14/h2-5,12H,6-10,14H2,1H3 |
InChI Key: | NJVXTICIQNKNSS-UHFFFAOYSA-N |
Boiling Point: | 326.1 °C at 760 mmHg |
Density: | 1.014 g/cm3 |
LogP: | 2.38120 |
Publication Number | Title | Priority Date |
EP-1796678-B1 | Carboxamide spirolactam cgrp receptor antagonists | 20040913 |
US-2007293470-A1 | Carboxamide Spirolactam Cgrp Receptor Antagonists | 20040913 |
US-7390798-B2 | Carboxamide spirolactam CGRP receptor antagonists | 20040913 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.162648646 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.162648646 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Related Functional Groups
Pyrrolidines
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