3-(Aminomethyl)isochroman - CAS 256229-12-6
Catalog: |
BB018975 |
Product Name: |
3-(Aminomethyl)isochroman |
CAS: |
256229-12-6 |
Synonyms: |
3,4-dihydro-1H-2-benzopyran-3-ylmethanamine; 3,4-dihydro-1H-isochromen-3-ylmethanamine |
IUPAC Name: | 3,4-dihydro-1H-isochromen-3-ylmethanamine |
Description: | 3-(Aminomethyl)isochroman (CAS# 256229-12-6) is a useful research chemical. |
Molecular Weight: | 163.22 |
Molecular Formula: | C10H13NO |
Canonical SMILES: | C1C(OCC2=CC=CC=C21)CN |
InChI: | InChI=1S/C10H13NO/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10H,5-7,11H2 |
InChI Key: | MMZKPTNDPNDNKS-UHFFFAOYSA-N |
LogP: | 1.78690 |
Publication Number | Title | Priority Date |
US-2009258907-A1 | Compounds useful as inhibitors of rock kinases | 20080409 |
EP-1737813-A1 | Androgen modulators | 20040413 |
US-2007197641-A1 | Androgen modulators | 20040413 |
US-2009192202-A1 | Androgen modulators | 20040413 |
US-7507860-B2 | Androgen modulators | 20040413 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.099714038 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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Related Functional Groups
Benzopyrans
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