3-Amino-1,1-difluoro-2-propanol - CAS 433-46-5
Catalog: |
BB025390 |
Product Name: |
3-Amino-1,1-difluoro-2-propanol |
CAS: |
433-46-5 |
Synonyms: |
3-amino-1,1-difluoro-2-propanol; 3-amino-1,1-difluoropropan-2-ol |
IUPAC Name: | 3-amino-1,1-difluoropropan-2-ol |
Description: | 3-Amino-1,1-difluoro-2-propanol (CAS# 433-46-5) is used in preparation of Amino Acid compounds for αvβ6 integrin inhibitors that may be useful for treatment of fibrosis. |
Molecular Weight: | 111.09 |
Molecular Formula: | C3H7F2NO |
Canonical SMILES: | C(C(C(F)F)O)N |
InChI: | InChI=1S/C3H7F2NO/c4-3(5)2(7)1-6/h2-3,7H,1,6H2 |
InChI Key: | RHVLBJPNWATWIM-UHFFFAOYSA-N |
LogP: | 0.27140 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020352942-A1 | Dosage forms and regimens for amino acid compounds | 20190408 |
WO-2020210404-A1 | Dosage forms and regimens for amino acid compounds | 20190408 |
US-2019276449-A1 | Amino acid compounds and methods of use | 20180307 |
KR-20200139676-A | Amino acid compounds and methods of use | 20180307 |
US-10793564-B2 | Amino acid compounds and methods of use | 20180307 |
Complexity: | 50.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.04957017 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.04957017 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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