3-(Aminomethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine Dihydrochloride - CAS 1187930-12-6
Catalog: |
BB004273 |
Product Name: |
3-(Aminomethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine Dihydrochloride |
CAS: |
1187930-12-6 |
Synonyms: |
3,4-dihydro-2H-1,4-benzoxazin-3-ylmethanamine;dihydrochloride; 3,4-dihydro-2H-1,4-benzoxazin-3-ylmethanamine;dihydrochloride |
IUPAC Name: | 3,4-dihydro-2H-1,4-benzoxazin-3-ylmethanamine;dihydrochloride |
Description: | 3-(Aminomethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine Dihydrochloride (CAS# 1187930-12-6) is a useful research chemical. |
Molecular Weight: | 237.13 |
Molecular Formula: | C9H14Cl2N2O |
Canonical SMILES: | C1C(NC2=CC=CC=C2O1)CN.Cl.Cl |
InChI: | InChI=1S/C9H12N2O.2ClH/c10-5-7-6-12-9-4-2-1-3-8(9)11-7;;/h1-4,7,11H,5-6,10H2;2*1H |
InChI Key: | UDTIHHKFSGPTJU-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.45850 |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.0483185 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.0483185 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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