3-(Boc-amino)-3-(3-chlorophenyl)-1-propanol - CAS 1314406-54-6
Catalog: |
BB007340 |
Product Name: |
3-(Boc-amino)-3-(3-chlorophenyl)-1-propanol |
CAS: |
1314406-54-6 |
Synonyms: |
N-[1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid tert-butyl ester; tert-butyl N-[1-(3-chlorophenyl)-3-hydroxypropyl]carbamate |
IUPAC Name: | tert-butyl N-[1-(3-chlorophenyl)-3-hydroxypropyl]carbamate |
Description: | 3-(Boc-amino)-3-(3-chlorophenyl)-1-propanol (CAS# 1314406-54-6 ) is a useful research chemical. |
Molecular Weight: | 285.77 |
Molecular Formula: | C14H20ClNO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CCO)C1=CC(=CC=C1)Cl |
InChI: | InChI=1S/C14H20ClNO3/c1-14(2,3)19-13(18)16-12(7-8-17)10-5-4-6-11(15)9-10/h4-6,9,12,17H,7-8H2,1-3H3,(H,16,18) |
InChI Key: | RPFZBXMBURWPTN-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 ℃ |
LogP: | 3.49260 |
Publication Number | Title | Priority Date |
EP-2739625-A1 | Cyclic p1 linkers as factor xia inhibitors | 20110805 |
EP-2739625-B1 | Cyclic p1 linkers as factor xia inhibitors | 20110805 |
EP-3070087-A1 | Intermediates for the synthesis of cyclic p1 linkers as factor xia inhibitors | 20110805 |
EP-3070087-B1 | Intermediates for the synthesis of cyclic p1 linkers as factor xia inhibitors | 20110805 |
TW-201319068-A | Cyclic P1 cement as a XIA factor inhibitor | 20110805 |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.1131712 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.1131712 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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