5-[(Boc-amino)methyl]benzo[d]isoxazol-3-amine - CAS 368426-88-4
Catalog: |
BB023102 |
Product Name: |
5-[(Boc-amino)methyl]benzo[d]isoxazol-3-amine |
CAS: |
368426-88-4 |
Synonyms: |
N-[(3-amino-1,2-benzoxazol-5-yl)methyl]carbamic acid tert-butyl ester; tert-butyl N-[(3-amino-1,2-benzoxazol-5-yl)methyl]carbamate |
IUPAC Name: | tert-butyl N-[(3-amino-1,2-benzoxazol-5-yl)methyl]carbamate |
Description: | 5-[(Boc-amino)methyl]benzo[d]isoxazol-3-amine (CAS# 368426-88-4) is a useful research chemical. |
Molecular Weight: | 263.29 |
Molecular Formula: | C13H17N3O3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)ON=C2N |
InChI: | InChI=1S/C13H17N3O3/c1-13(2,3)18-12(17)15-7-8-4-5-10-9(6-8)11(14)16-19-10/h4-6H,7H2,1-3H3,(H2,14,16)(H,15,17) |
InChI Key: | ZCIZHSBBBSRKEE-UHFFFAOYSA-N |
Boiling Point: | 473.4 °C at 760 mmHg |
Density: | 1.235 g/cm3 |
LogP: | 2.56920 |
Publication Number | Title | Priority Date |
US-6506760-B1 | Substituted hydrazinyl heteroaromatic inhibitors of thrombin | 20000414 |
US-6506761-B1 | Substituted hydrazinyl heteroaromatic inhibitors of thrombin | 20000414 |
US-6541467-B1 | Thrombin inhibitors having a lactam at P3 | 20000414 |
WO-0179193-A2 | Substituted hydrazinyl heteroaromatic inhibitors of thrombin | 20000414 |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.12699141 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.12699141 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 90.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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